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1-Cycloheptene-1-propanoic acid, 2-(2,3,4-trimethoxyphenyl)-, methyl ester
SpectraBase Compound ID EHcAsfGp03Y
InChI InChI=1S/C20H28O5/c1-22-17-12-11-16(19(24-3)20(17)25-4)15-9-7-5-6-8-14(15)10-13-18(21)23-2/h11-12H,5-10,13H2,1-4H3
InChIKey COAFOFRTRCLNCL-UHFFFAOYSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fc5ZsKPfs5k
Name 1-Cycloheptene-1-propanoic acid, 2-(2,3,4-trimethoxyphenyl)-, methyl ester
CAS Registry Number 129748-38-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-22-17-12-11-16(19(24-3)20(17)25-4)15-9-7-5-6-8-14(15)10-13-18(21)23-2/h11-12H,5-10,13H2,1-4H3
InChIKey COAFOFRTRCLNCL-UHFFFAOYSA-N
Molecular Weight 348.439 g/mol
SMILES c1(C2=C(CCC(=O)OC)CCCCC2)c(c(OC)c(cc1)OC)OC
SPLASH splash10-014j-4839000000-04ed727c33e1a97c5cf1
Source of Spectrum F-46-2279-25
Synonyms Methyl 3-[2-(2,3,4-trimethoxyphenyl)-1-cyclohepten-1-yl]propanoate Methyl 3-[2-(2,3,4-trimethoxyphenyl)cycloheptadienyl]propanoate
Wiley ID 1340721