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Trans-1,2-di-o-benzoylcyclohexan-1,2-diol

View entire compound with spectra: 1 NMR

Trans-1,2-di-o-benzoylcyclohexan-1,2-diol
SpectraBase Compound ID 5pObJSFYISx
InChI InChI=1S/C20H20O4/c21-19(15-9-3-1-4-10-15)23-17-13-7-8-14-18(17)24-20(22)16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2/t17-,18-/m1/s1
InChIKey JXUSSZXXZIJFDP-QZTJIDSGSA-N
Mol Weight 324.38 g/mol
Molecular Formula C20H20O4
Exact Mass 324.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AOLrnU2sK28
Name Trans-1,2-di-o-benzoylcyclohexan-1,2-diol
Comments Computed using HOSE algorithm
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Exact Mass 324.136159120 u
Formula C20H20O4
InChI InChI=1S/C20H20O4/c21-19(15-9-3-1-4-10-15)23-17-13-7-8-14-18(17)24-20(22)16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2/t17-,18-/m1/s1
InChIKey JXUSSZXXZIJFDP-QZTJIDSGSA-N
Molecular Weight 324.376 g/mol
SMILES C1CC[C@]([C@@](C1)(OC(=O)C1=CC=CC=C1)[H])(OC(=O)C=1C=CC=CC1)[H]