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1-[2'-(3''-Methoxy-5''-methylphenyl)ethyl]-1,4-dihydrobenzoic acid

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1-[2'-(3''-Methoxy-5''-methylphenyl)ethyl]-1,4-dihydrobenzoic acid
SpectraBase Compound ID 6FYxp7Huou3
InChI InChI=1S/C34H38O6/c1-39-29-21-25(19-27(23-29)11-17-33(31(35)36)13-5-3-6-14-33)9-10-26-20-28(24-30(22-26)40-2)12-18-34(32(37)38)15-7-4-8-16-34/h5-8,13-16,19-24H,3-4,9-12,17-18H2,1-2H3,(H,35,36)(H,37,38)
InChIKey VCVJWBQAUGVKDX-UHFFFAOYSA-N
Mol Weight 542.7 g/mol
Molecular Formula C34H38O6
Exact Mass 542.266839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DCL1sZQfQYu
Name 1-[2'-(3''-METHOXY-5''-METHYLPHENYL)-ETHYL]-1,4-DIHYDRO-BENZOIC-ACID
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H38O6
InChI InChI=1S/C34H38O6/c1-39-29-21-25(19-27(23-29)11-17-33(31(35)36)13-5-3-6-14-33)9-10-26-20-28(24-30(22-26)40-2)12-18-34(32(37)38)15-7-4-8-16-34/h5-8,13-16,19-24H,3-4,9-12,17-18H2,1-2H3,(H,35,36)(H,37,38)
InChIKey VCVJWBQAUGVKDX-UHFFFAOYSA-N
Literature Reference Author D.H.ROGERS,B.FREY,F.S.RODEN,F.W.RUSSKAMP,A.C.WILLIS,L.N.MAND ER
Literature Reference Citation AUSTR.J.CHEM.,52,1093(1999)
Literature Reference DOI 10.1071/CH99093
Molecular Weight 542.672 g/mol
Solvent Unknown
Source File Reference UWRU5323