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2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-1-(2-propenyl)-, ethyl ester
SpectraBase Compound ID JZ1vbALlMZc
InChI InChI=1S/C13H18O3/c1-4-7-13(12(15)16-5-2)8-6-11(14)9-10(13)3/h4,9H,1,5-8H2,2-3H3
InChIKey SWMITAAMPPYCAF-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqwxxaCN6n9
Name 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-1-(2-propenyl)-, ethyl ester
CAS Registry Number 78872-02-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-4-7-13(12(15)16-5-2)8-6-11(14)9-10(13)3/h4,9H,1,5-8H2,2-3H3
InChIKey SWMITAAMPPYCAF-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C1(C(=CC(CC1)=O)C)(C(=O)OCC)CC=C
SPLASH splash10-056u-9700000000-c13f6a7afb8a1b10c9ff
Source of Spectrum B-40-1339-19
Synonyms Ethyl 1-allyl-2-methyl-4-oxo-2-cyclohexene-1-carboxylate Ethyl 2-methyl-4-oxo-1-(prop-2'-enyl)cyclohex-2-ene-1-carboxylate
Wiley ID 1222635