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3,5-Dioxo-cyclohexanecarboxylic acid, ethyl ester enol-form

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

3,5-Dioxo-cyclohexanecarboxylic acid, ethyl ester enol-form
SpectraBase Compound ID E790QtITa7J
InChI InChI=1S/C9H12O4/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h5-6,10H,2-4H2,1H3
InChIKey SSXUXPNPVFUMDJ-UHFFFAOYSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3od9WQARpiR
Name 3,5-Dioxocyclohexanecarboxylic acid, ethyl ester enol-form; 3-cyclohexene-1-carboxylic acid, 3-hydroxy-5-oxo-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 184.073558862 u
Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h5-6,10H,2-4H2,1H3
InChIKey SSXUXPNPVFUMDJ-UHFFFAOYSA-N
Molecular Weight 184.191 g/mol
SMILES OC1=CC(CC(C1)C(=O)OCC)=O
Spectrum/Structure Validation Score (Raman) 0.982281