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Cyclopentanecarboxylic acid, 3-(3-butenyl)-5-methyl-2-oxo-, methyl ester

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

Cyclopentanecarboxylic acid, 3-(3-butenyl)-5-methyl-2-oxo-, methyl ester
SpectraBase Compound ID BC3Tp6ARDas
InChI InChI=1S/C12H18O3/c1-4-5-6-9-7-8(2)10(11(9)13)12(14)15-3/h4,8-10H,1,5-7H2,2-3H3
InChIKey CRSCSJSXGUXKEM-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BpxSIKJYoDU
Name Cyclopentanecarboxylic acid, 3-(3-butenyl)-5-methyl-2-oxo-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.125594437 u
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-4-5-6-9-7-8(2)10(11(9)13)12(14)15-3/h4,8-10H,1,5-7H2,2-3H3
InChIKey CRSCSJSXGUXKEM-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
SMILES C1(C(C(CCC=C)CC1C)=O)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906218