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2,4-Pentadienoic acid, 3,4-dimethyl-, isopropyl ester

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

2,4-Pentadienoic acid, 3,4-dimethyl-, isopropyl ester
SpectraBase Compound ID 6LuHeDo0Kli
InChI InChI=1S/C10H16O2/c1-7(2)9(5)6-10(11)12-8(3)4/h6,8H,1H2,2-5H3/b9-6+
InChIKey HXMPZXVAHSYCLE-RMKNXTFCSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A0mqHD0GV24
Name 2,4-Pentadienoic acid, 3,4-dimethyl-, isopropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.115029753 u
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-7(2)9(5)6-10(11)12-8(3)4/h6,8H,1H2,2-5H3/b9-6+
InChIKey HXMPZXVAHSYCLE-RMKNXTFCSA-N
Molecular Weight 168.236 g/mol
SMILES C\C(C(=C)C)=C/C(=O)OC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978966