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2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-, ethyl ester

View entire compound with spectra: 4 NMR, 3 FTIR, 3 MS (GC), and 2 Near IR

2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-, ethyl ester
SpectraBase Compound ID 789C0lZ3egj
InChI InChI=1S/C10H14O3/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h6,9H,3-5H2,1-2H3
InChIKey VLTANIMRIRCCOQ-UHFFFAOYSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 81H1K7pjxS7
Name Ethyl 2-methyl-4-oxo-2-cyclohexenecarboxylate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number C5009
CAS Registry Number 487-51-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h6,9H,3-5H2,1-2H3
InChIKey VLTANIMRIRCCOQ-UHFFFAOYSA-N
Observed nucleus 1H
Purity 90%, technical grade
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-Carbethoxy-3-methyl-2-cyclohexen-1-one Hagemann's ester
Wiley ID SIAL_1HNMR_011067