7150 -OEChem-03192405512D 18 18 0 0 0 0 0 0 0999 V2000 3.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 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 -1.7500 0.0000 C 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 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 9 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 7 2 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 M END > 7150 > 1 > 114 > 2 > 0 > 2 > AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADACAmAIyCIAABACIAiDSCAACAAAkAAAIiAEACMgIJjKANRiAMQAkwAEIqYeIyCCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > methyl benzoate > benzoic acid methyl ester > methyl benzoate > methyl benzoate > methyl benzoate > benzoic acid methyl ester > InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3 > QPJVMBTYPHYUOC-UHFFFAOYSA-N > 2.1 > 136.052429494 > C8H8O2 > 136.15 > COC(=O)C1=CC=CC=C1 > COC(=O)C1=CC=CC=C1 > 26.3 > 136.052429494 > 0 > 10 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 3 4 8 3 5 8 4 6 8 5 7 8 6 8 8 7 8 8 $$$$