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

View entire compound with spectra: 1 NMR

Trans-1-o-acetyl-2-o-benzoylcyclohexan-1,2-diol
SpectraBase Compound ID GnrHrj965JN
InChI InChI=1S/C15H18O4/c1-11(16)18-13-9-5-6-10-14(13)19-15(17)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10H2,1H3/t13-,14-/m1/s1
InChIKey YDPDVJJOIYORHB-ZIAGYGMSSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GUvtHGwZazF
Name Trans-1-o-acetyl-2-o-benzoylcyclohexan-1,2-diol
Comments Computed using HOSE algorithm
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Exact Mass 262.120509056 u
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-11(16)18-13-9-5-6-10-14(13)19-15(17)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10H2,1H3/t13-,14-/m1/s1
InChIKey YDPDVJJOIYORHB-ZIAGYGMSSA-N
Molecular Weight 262.305 g/mol
SMILES C1CC[C@]([C@@](C1)(OC(=O)C1=CC=CC=C1)[H])(OC(=O)C)[H]