228987 -OEChem-03282410562D 35 35 0 1 0 0 0 0 0999 V2000 2.0000 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3520 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 9 2 0 0 0 0 3 10 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 10 13 2 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 M END > 228987 > 1 > 194 > 1 > 0 > 4 > AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADwCgmAIyAIAAAACIAihSgAACAAAgAAAIiAEAAIgIIDKAERCAIAAggAAIiAcIiMCPwAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 3-(4-tert-butylphenyl)-2-methyl-propanal > 3-(4-tert-butylphenyl)-2-methylpropanal > 3-(4-tert-butylphenyl)-2-methylpropanal > 3-(4-tert-butylphenyl)-2-methylpropanal > 3-(4-tert-butylphenyl)-2-methyl-propanal > 3-(4-tert-butylphenyl)-2-methyl-propionaldehyde > InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3 > SDQFDHOLCGWZPU-UHFFFAOYSA-N > 3.9 > 204.151415257 > C14H20O > 204.31 > CC(CC1=CC=C(C=C1)C(C)(C)C)C=O > CC(CC1=CC=C(C=C1)C(C)(C)C)C=O > 17.1 > 204.151415257 > 0 > 15 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 8 11 14 3 3 10 8 3 9 8 7 12 8 7 13 8 9 12 8 $$$$