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Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester
SpectraBase Compound ID 9KRkuc0MC4C
InChI InChI=1S/C12H18O4/c1-2-16-12(15)10(8-11(13)14)9-6-4-3-5-7-9/h6,10H,2-5,7-8H2,1H3,(H,13,14)
InChIKey HLYKEZQKPDMUIH-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hJno5dvozc
Name Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester
CAS Registry Number 82546-67-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-2-16-12(15)10(8-11(13)14)9-6-4-3-5-7-9/h6,10H,2-5,7-8H2,1H3,(H,13,14)
InChIKey HLYKEZQKPDMUIH-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES OC(CC(C=1CCCCC1)C(=O)OCC)=O
SPLASH splash10-053u-7910000000-8cb7d1020d50c67e900a
Synonyms 3-(1-Cyclohexen-1-yl)-4-ethoxy-4-oxobutanoic acid 3-(1-cyclohexenyl)-4-ethoxy-4-oxobutanoic acid 3-(cyclohexen-1-yl)-4-ethoxy-4-keto-butyric acid 3-(cyclohexen-1-yl)-4-ethoxy-4-oxidanylidene-butanoic acid 3-(cyclohexen-1-yl)-4-ethoxy-4-oxo-butanoic acid Propanoic acid, 3-(ethoxycarbonyl)-3-(1-cyclohexenyl)-
Wiley ID 1489683