69793692 -OEChem-03282415152D 27 27 0 1 0 0 0 0 0999 V2000 4.7320 1.1900 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 0.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 9 1 0 0 0 0 2 27 1 0 0 0 0 3 9 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 M END > 69793692 > 1 > 200 > 2 > 1 > 4 > AAADccBwMAAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgBACAABjACAmAAyCIAAAgCIAiDSCAACAAAgAAAIiAEAAKgoIDKAERCAYAAkgAAIiAeIyPCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-bromo-2-methyl-4-phenyl-butanoic acid > 2-bromo-2-methyl-4-phenylbutanoic acid > 2-bromo-2-methyl-4-phenylbutanoic acid > 2-bromo-2-methyl-4-phenylbutanoic acid > 2-bromanyl-2-methyl-4-phenyl-butanoic acid > 2-bromo-2-methyl-4-phenyl-butyric acid > InChI=1S/C11H13BrO2/c1-11(12,10(13)14)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14) > CXVCKYZGRQDIOX-UHFFFAOYSA-N > 3.1 > 256.00989 > C11H13BrO2 > 257.12 > CC(CCC1=CC=CC=C1)(C(=O)O)Br > CC(CCC1=CC=CC=C1)(C(=O)O)Br > 37.3 > 256.00989 > 0 > 14 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 5 1 3 10 12 8 11 13 8 12 14 8 13 14 8 7 10 8 7 11 8 $$$$