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4-Acetyl-1-cyclopentenecarboxylic acid ethyl ester

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

4-Acetyl-1-cyclopentenecarboxylic acid ethyl ester
SpectraBase Compound ID 13DWbaQRxIE
InChI InChI=1S/C10H14O3/c1-3-13-10(12)9-5-4-8(6-9)7(2)11/h5,8H,3-4,6H2,1-2H3
InChIKey QWEOCYSFWKYLBV-UHFFFAOYSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HbrRSqiPMCV
Name 4-Acetyl-1-cyclopentenecarboxylic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.094294308 u
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-3-13-10(12)9-5-4-8(6-9)7(2)11/h5,8H,3-4,6H2,1-2H3
InChIKey QWEOCYSFWKYLBV-UHFFFAOYSA-N
Molecular Weight 182.219 g/mol
SMILES C1(C(=O)OCC)=CCC(C1)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91642