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ETHYL-2-METHYL-4-OXO-1-(1'-OXOPROP-2'-ENYL)-CYCLOHEX-2-ENE-1-CARBOXYLATE
SpectraBase Compound ID a3yYRPuwpM
InChI InChI=1S/C13H16O4/c1-4-11(15)13(12(16)17-5-2)7-6-10(14)8-9(13)3/h4,8H,1,5-7H2,2-3H3
InChIKey FVKIKIUXYSPAMF-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ekk2cmWP3yi
Name 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-1-(1-oxo-2-propenyl)-, ethyl ester
Alternate Name(s) Ethyl 1-acryloyl-2-methyl-4-oxo-2-cyclohexene-1-carboxylate Ethyl 2-methyl-4-oxo-1-(1'-oxoprop-2'-enyl)cyclohex-2-ene-1-carboxylate
CAS Registry Number 112905-47-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-4-11(15)13(12(16)17-5-2)7-6-10(14)8-9(13)3/h4,8H,1,5-7H2,2-3H3
InChIKey FVKIKIUXYSPAMF-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C1(C(=CC(CC1)=O)C)(C(=O)OCC)C(C=C)=O
SPLASH splash10-0a4i-9000000000-fdbc31aac8d4e9b87d12
Source of Spectrum B-40-1340-30
Wiley ID 1238099