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(E)-2,3-Dimethylbut-2-enedioic-acid;dimethylfumaric-acid

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

(E)-2,3-Dimethylbut-2-enedioic-acid;dimethylfumaric-acid
SpectraBase Compound ID BSa7o6tnt4Q
InChI InChI=1S/C6H8O4/c1-3(5(7)8)4(2)6(9)10/h1-2H3,(H,7,8)(H,9,10)/b4-3+
InChIKey CGBYBGVMDAPUIH-ONEGZZNKSA-N
Mol Weight 144.13 g/mol
Molecular Formula C6H8O4
Exact Mass 144.042259 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ELzqmu5PykN
Name (E)-2,3-Dimethylbut-2-enedioic-acid;dimethylfumaric-acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 144.042258734 u
Formula C6H8O4
InChI InChI=1S/C6H8O4/c1-3(5(7)8)4(2)6(9)10/h1-2H3,(H,7,8)(H,9,10)/b4-3+
InChIKey CGBYBGVMDAPUIH-ONEGZZNKSA-N
Molecular Weight 144.126 g/mol
SMILES C(O)(=O)\C(C)=C/(C)C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934252