8400 -OEChem-03282413362D 28 29 0 1 0 0 0 0 0999 V2000 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 25 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 8 12 2 0 0 0 0 8 19 1 0 0 0 0 9 14 1 0 0 0 0 9 20 1 0 0 0 0 10 15 2 0 0 0 0 10 21 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 M END > 8400 > 1 > 225 > 2 > 1 > 3 > AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAACAAADBSgmAIwAIAAAgCIAqBSAAICAAAkAAAIiAFACMgINjKAFRCAcQAkwAEImYeIyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-hydroxy-1,2-diphenyl-ethanone > 2-hydroxy-1,2-diphenylethanone > 2-hydroxy-1,2-diphenylethanone > 2-hydroxy-1,2-diphenylethanone > 2-oxidanyl-1,2-diphenyl-ethanone > benzoin > InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H > ISAOCJYIOMOJEB-UHFFFAOYSA-N > 2.1 > 212.083729621 > C14H12O2 > 212.24 > C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O > C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O > 37.3 > 212.083729621 > 0 > 16 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 3 1 3 10 15 8 11 13 8 12 13 8 14 16 8 15 16 8 4 7 8 4 8 8 6 10 8 6 9 8 7 11 8 8 12 8 9 14 8 $$$$