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2-Methyl-trans-2,trans-4-hexadienedioic acid

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Methyl-trans-2,trans-4-hexadienedioic acid
SpectraBase Compound ID 2y4k9PBoZFH
InChI InChI=1S/C7H8O4/c1-5(7(10)11)3-2-4-6(8)9/h2-4H,1H3,(H,8,9)(H,10,11)/b4-2+,5-3+
InChIKey VCPQFDRBOZTBAO-ZUVMSYQZSA-N
Mol Weight 156.14 g/mol
Molecular Formula C7H8O4
Exact Mass 156.042259 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6p0Pqj1Gdvm
Name 2-Methyl-trans-2,trans-4-hexadienedioic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 156.042258734 u
Formula C7H8O4
InChI InChI=1S/C7H8O4/c1-5(7(10)11)3-2-4-6(8)9/h2-4H,1H3,(H,8,9)(H,10,11)/b4-2+,5-3+
InChIKey VCPQFDRBOZTBAO-ZUVMSYQZSA-N
Molecular Weight 156.137 g/mol
SMILES C(O)(\C(=C\C=C\C(O)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970046