70200065 -OEChem-03282404492D 30 30 0 0 0 0 0 0 0999 V2000 3.7320 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 7 2 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 M END > 70200065 > 1 > 249 > 4 > 0 > 6 > AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADASAmAIyDoAABACIAiDSCAACCAAkIAAIiAEGCMgMJjKENRqCOyCkwBEIqYfKyDCOAAABAAAAAAAAAAIAAAAAAAAAAAAAAA== > methyl 3-butanoyloxybenzoate > 3-(1-oxobutoxy)benzoic acid methyl ester > methyl 3-butanoyloxybenzoate > methyl 3-butanoyloxybenzoate > methyl 3-butanoyloxybenzoate > 3-butyryloxybenzoic acid methyl ester > InChI=1S/C12H14O4/c1-3-5-11(13)16-10-7-4-6-9(8-10)12(14)15-2/h4,6-8H,3,5H2,1-2H3 > RAOFFBZLVXAHMR-UHFFFAOYSA-N > 2.4 > 222.08920892 > C12H14O4 > 222.24 > CCCC(=O)OC1=CC=CC(=C1)C(=O)OC > CCCC(=O)OC1=CC=CC(=C1)C(=O)OC > 52.6 > 222.08920892 > 0 > 16 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 10 13 8 12 14 8 13 14 8 9 11 8 9 12 8 $$$$