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Cyclopentanecarboxylic acid, 1-(1-methyl-2-propenyl)-2-oxo-, ethyl ester

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

Cyclopentanecarboxylic acid, 1-(1-methyl-2-propenyl)-2-oxo-, ethyl ester
SpectraBase Compound ID 88pRQRu0udu
InChI InChI=1S/C12H18O3/c1-4-9(3)12(11(14)15-5-2)8-6-7-10(12)13/h4,9H,1,5-8H2,2-3H3
InChIKey TVFYCXKHXZRKBP-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 HQFXdtlCEp2
Name Cyclopentanecarboxylic acid, 1-(1-methyl-2-propenyl)-2-oxo-, ethyl 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/c1-4-9(3)12(11(14)15-5-2)8-6-7-10(12)13/h4,9H,1,5-8H2,2-3H3
InChIKey TVFYCXKHXZRKBP-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
SMILES CC(C1(C(=O)OCC)CCCC1=O)C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884081