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5-(1-Methylethenyl)-1-cyclopentenecarboxylic acid ethyl ester

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

5-(1-Methylethenyl)-1-cyclopentenecarboxylic acid ethyl ester
SpectraBase Compound ID 2bPlxefG1DD
InChI InChI=1S/C11H16O2/c1-4-13-11(12)10-7-5-6-9(10)8(2)3/h7,9H,2,4-6H2,1,3H3
InChIKey WZNAVLKZODSEEZ-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FNY4uUnpIug
Name 5-(1-Methylethenyl)-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 180.115029753 u
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-4-13-11(12)10-7-5-6-9(10)8(2)3/h7,9H,2,4-6H2,1,3H3
InChIKey WZNAVLKZODSEEZ-UHFFFAOYSA-N
Molecular Weight 180.247 g/mol
SMILES C=1(C(C(=C)C)CCC1)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.8641