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1,3,6-Cycloheptatriene-1-carboxylic acid, 4-methoxy-, ethyl ester
SpectraBase Compound ID CmplcoEE3GS
InChI InChI=1S/C11H14O3/c1-3-14-11(12)9-5-4-6-10(13-2)8-7-9/h4-5,7-8H,3,6H2,1-2H3
InChIKey OHRVPLNQJQDKGF-UHFFFAOYSA-N
Mol Weight 194.23 g/mol
Molecular Formula C11H14O3
Exact Mass 194.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EjAIjoah6
Name 1,3,6-Cycloheptatriene-1-carboxylic acid, 4-methoxy-, ethyl ester
Alternate Name(s) 4-Ethoxycarbonyl-1-methoxycycloheptatriene Ethyl 4-methoxy-1,3,6-cycloheptatriene-1-carboxylate
CAS Registry Number 60058-37-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O3
InChI InChI=1S/C11H14O3/c1-3-14-11(12)9-5-4-6-10(13-2)8-7-9/h4-5,7-8H,3,6H2,1-2H3
InChIKey OHRVPLNQJQDKGF-UHFFFAOYSA-N
Molecular Weight 194.230 g/mol
SMILES C1(C(=O)OCC)=CC=C(OC)CC=C1
SPLASH splash10-00fv-4900000000-f9a9161a23dbc4dc424c
Source of Spectrum F-35-2321-0
Wiley ID 1190658