70620628 -OEChem-05052402502D 78 78 0 1 0 0 0 0 0999 V2000 2.4860 7.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 7.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 12.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8900 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8900 11.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 5.9300 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6200 5.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 4.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 5.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 6.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 6.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 4.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 4.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 6.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 8.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 8.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 3.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 3.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 2.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 9.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 8.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 10.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 11.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 9.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 9.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 8.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 8.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5123 5.3194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2026 5.7180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 6.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 7.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5374 7.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 4.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 4.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 6.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 6.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 7.4160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 9.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8754 8.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 8.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 9.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 10.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 9.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9081 7.8931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5281 8.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9459 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5474 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9459 11.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5474 10.9423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5609 9.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5609 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 9.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5609 8.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5609 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 8.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 7.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5609 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5609 12.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 12 2 0 0 0 0 3 37 1 0 0 0 0 3 77 1 0 0 0 0 4 38 1 0 0 0 0 4 78 1 0 0 0 0 5 37 2 0 0 0 0 6 38 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 15 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 13 18 1 0 0 0 0 13 46 1 0 0 0 0 14 19 2 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 53 1 0 0 0 0 18 20 2 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 25 1 0 0 0 0 23 27 2 0 0 0 0 23 29 1 0 0 0 0 24 26 1 0 0 0 0 24 28 2 0 0 0 0 24 30 1 0 0 0 0 25 37 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 38 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 31 1 0 0 0 0 27 67 1 0 0 0 0 28 32 1 0 0 0 0 28 68 1 0 0 0 0 29 33 2 0 0 0 0 29 69 1 0 0 0 0 30 34 2 0 0 0 0 30 70 1 0 0 0 0 31 35 2 0 0 0 0 31 71 1 0 0 0 0 32 36 2 0 0 0 0 32 72 1 0 0 0 0 33 35 1 0 0 0 0 33 73 1 0 0 0 0 34 36 1 0 0 0 0 34 74 1 0 0 0 0 35 75 1 0 0 0 0 36 76 1 0 0 0 0 M END > 70620628 > 1 > 368 > 6 > 2 > 11 > AAADcfB8OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAGgAACAAADwCgmAIyCIAABgCIAiDSCAACAAAgAAAIiAEAAIgIIDKAFRCCYAAkwAEIiAeIyOCPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > isobutyl 2-methyl-2-phenyl-pentanoate;2-phenylacetic acid > 2-methyl-2-phenylpentanoic acid 2-methylpropyl ester;2-phenylacetic acid > 2-methylpropyl 2-methyl-2-phenylpentanoate;2-phenylacetic acid > 2-methylpropyl 2-methyl-2-phenylpentanoate;2-phenylacetic acid > 2-methylpropyl 2-methyl-2-phenyl-pentanoate;2-phenylethanoic acid > 2-methyl-2-phenyl-valeric acid isobutyl ester;2-phenylacetic acid > InChI=1S/C16H24O2.2C8H8O2/c1-5-11-16(4,14-9-7-6-8-10-14)15(17)18-12-13(2)3;2*9-8(10)6-7-4-2-1-3-5-7/h6-10,13H,5,11-12H2,1-4H3;2*1-5H,6H2,(H,9,10) > KTTSVUBESFBQOJ-UHFFFAOYSA-N > 520.28248899 > C32H40O6 > 520.7 > CCCC(C)(C1=CC=CC=C1)C(=O)OCC(C)C.C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CC(=O)O > CCCC(C)(C1=CC=CC=C1)C(=O)OCC(C)C.C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CC(=O)O > 101 > 520.28248899 > 0 > 38 > 0 > 1 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 13 18 8 14 19 8 18 20 8 19 20 8 23 27 8 23 29 8 24 28 8 24 30 8 27 31 8 28 32 8 29 33 8 30 34 8 31 35 8 32 36 8 33 35 8 34 36 8 7 10 3 9 13 8 9 14 8 $$$$