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trans-2,6-Diphenyl-4-oxocyclohexane-1-carboxylic-acid
SpectraBase Compound ID BYRqAoo8emj
InChI InChI=1S/C19H18O3/c20-15-11-16(13-7-3-1-4-8-13)18(19(21)22)17(12-15)14-9-5-2-6-10-14/h1-10,16-18H,11-12H2,(H,21,22)/t16-,17-/m0/s1
InChIKey IATFBPRGNGBWST-IRXDYDNUSA-N
Mol Weight 294.35 g/mol
Molecular Formula C19H18O3
Exact Mass 294.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EdAOWGmYPe7
Name TRANS-2,6-DIPHENYL-4-OXOCYCLOHEXANE-1-CARBOXYLIC-ACID
CAS Registry Number 79815-46-6
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18O3
InChI InChI=1S/C19H18O3/c20-15-11-16(13-7-3-1-4-8-13)18(19(21)22)17(12-15)14-9-5-2-6-10-14/h1-10,16-18H,11-12H2,(H,21,22)/t16-,17-/m0/s1
InChIKey IATFBPRGNGBWST-IRXDYDNUSA-N
Literature Reference Author A.T.ROWLAND,J.A.HOHNECKER,K.F.MCDANIEL,D.S.MOORE
Literature Reference Citation J.ORG.CHEM.,47,301(1982)
Literature Reference DOI 10.1021/jo00341a024
Molecular Weight 294.350 g/mol
Solvent CDCl3
Source File Reference UNIW20070