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Butanoic acid, 2-methyl-3-oxo-, 2,4-pentadienyl ester

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

Butanoic acid, 2-methyl-3-oxo-, 2,4-pentadienyl ester
SpectraBase Compound ID D9zPNf4OqJX
InChI InChI=1S/C10H14O3/c1-4-5-6-7-13-10(12)8(2)9(3)11/h4-6,8H,1,7H2,2-3H3/b6-5+
InChIKey JFQRFWWDWLWBBE-AATRIKPKSA-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 1ag7l9Rf5Gp
Name Butanoic acid, 2-methyl-3-oxo-, 2,4-pentadienyl 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/c1-4-5-6-7-13-10(12)8(2)9(3)11/h4-6,8H,1,7H2,2-3H3/b6-5+
InChIKey JFQRFWWDWLWBBE-AATRIKPKSA-N
Molecular Weight 182.219 g/mol
SMILES C(C(=O)OC\C=C\C=C)(C(=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.841333