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Bicyclo[3.2.0]heptan-6-one, 2-bromo-3-hydroxy-7,7-diphenyl-
SpectraBase Compound ID A222PVaJHm2
InChI InChI=1S/C19H17BrO2/c20-17-15(21)11-14-16(17)19(18(14)22,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-17,21H,11H2
InChIKey WYVUUIHGEKGFHY-UHFFFAOYSA-N
Mol Weight 357.25 g/mol
Molecular Formula C19H17BrO2
Exact Mass 356.041193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IKImrEWEV9H
Name Bicyclo[3.2.0]heptan-6-one, 2-bromo-3-hydroxy-7,7-diphenyl-
Comments Computed using HOSE algorithm
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Exact Mass 356.041192785 u
Formula C19H17BrO2
InChI InChI=1S/C19H17BrO2/c20-17-15(21)11-14-16(17)19(18(14)22,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-17,21H,11H2
InChIKey WYVUUIHGEKGFHY-UHFFFAOYSA-N
Molecular Weight 357.247 g/mol
SMILES C1=CC=CC=C1C1(C2C(CC(C2Br)O)C1=O)C1=CC=CC=C1