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Cyclohepten-4-one-3-carboxylic acid, 1,2-dimethyl-, methyl ester

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

Cyclohepten-4-one-3-carboxylic acid, 1,2-dimethyl-, methyl ester
SpectraBase Compound ID 62MXkXdMais
InChI InChI=1S/C11H16O3/c1-7-5-4-6-9(12)10(8(7)2)11(13)14-3/h10H,4-6H2,1-3H3
InChIKey YRVKJWDEWDVLAL-UHFFFAOYSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H9sVvF62qLf
Name Cyclohepten-4-one-3-carboxylic acid, 1,2-dimethyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.109944372 u
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-7-5-4-6-9(12)10(8(7)2)11(13)14-3/h10H,4-6H2,1-3H3
InChIKey YRVKJWDEWDVLAL-UHFFFAOYSA-N
Molecular Weight 196.246 g/mol
SMILES C1CC(=C(C(C(C1)=O)C(OC)=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9169