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trans-2,6-Diphenyl-4,4-ethylenedioxycyclohexane-1-carboxylic-acid
SpectraBase Compound ID EFkx08N9rTC
InChI InChI=1S/C21H22O4/c22-20(23)19-17(15-7-3-1-4-8-15)13-21(24-11-12-25-21)14-18(19)16-9-5-2-6-10-16/h1-10,17-19H,11-14H2,(H,22,23)/t17-,18-/m0/s1
InChIKey PEENZSLWGGBVBC-ROUUACIJSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7gUqYuZ3oJC
Name TRANS-2,6-DIPHENYL-4,4-ETHYLENEDIOXYCYCLOHEXANE-1-CARBOXYLIC-ACID
CAS Registry Number 79803-42-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O4
InChI InChI=1S/C21H22O4/c22-20(23)19-17(15-7-3-1-4-8-15)13-21(24-11-12-25-21)14-18(19)16-9-5-2-6-10-16/h1-10,17-19H,11-14H2,(H,22,23)/t17-,18-/m0/s1
InChIKey PEENZSLWGGBVBC-ROUUACIJSA-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 338.403 g/mol
Solvent CDCl3
Source File Reference UNIW20075