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3-Cyclohexene-1-carboxylic acid, 2-(3,4-dimethoxyphenyl)-, methyl ester, trans-
SpectraBase Compound ID 4DgyatfYtBk
InChI InChI=1S/C16H20O4/c1-18-14-9-8-11(10-15(14)19-2)12-6-4-5-7-13(12)16(17)20-3/h4,6,8-10,12-13H,5,7H2,1-3H3/t12-,13+/m0/s1
InChIKey RAPSKBDUOCEMHT-QWHCGFSZSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dEt58sry6b
Name 3-Cyclohexene-1-carboxylic acid, 2-(3,4-dimethoxyphenyl)-, methyl ester, trans-
Alternate Name(s) Methyl (1R,2R)-2-(3,4-dimethoxyphenyl)-3-cyclohexene-1-carboxylate Methyl trans-2-(3',4'-dimethoxyphenyl)cyclohex-3-ene-1-carboxylate
CAS Registry Number 75560-78-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-18-14-9-8-11(10-15(14)19-2)12-6-4-5-7-13(12)16(17)20-3/h4,6,8-10,12-13H,5,7H2,1-3H3/t12-,13+/m0/s1
InChIKey RAPSKBDUOCEMHT-QWHCGFSZSA-N
Molecular Weight 276.332 g/mol
SMILES [C@@]1(c2cc(OC)c(cc2)OC)([C@](C(=O)OC)(CCC=C1)[H])[H]
SPLASH splash10-00or-0190000000-4af3b10cb95f47d56912
Source of Spectrum B-33-916-0
Wiley ID 1280140