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Methylsuccinic acid
SpectraBase Compound ID CcktDOH7LDq
InChI InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)
InChIKey WXUAQHNMJWJLTG-UHFFFAOYSA-N
Mol Weight 132.11 g/mol
Molecular Formula C5H8O4
Exact Mass 132.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66J1Ye1l0Ba
Name Butanedioic acid, methyl-
CAS Registry Number 498-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8O4
InChI InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)
InChIKey WXUAQHNMJWJLTG-UHFFFAOYSA-N
Molecular Weight 132.115 g/mol
SMILES OC(CC(C(=O)O)C)=O
SPLASH splash10-000f-9000000000-30a3ecddaef8585d6604
Source of Spectrum PG-1982-1400-0
Synonyms 1,2-Propanedicarboxylic acid 2-Methyl-succinic acid 2-Methylbutanedioic acid Methylbutanedioic acid Methylsuccinic acid Pyrotartaric acid Succinic acid, methyl- CCRIS 6068 EINECS 207-857-1 NSC 5276
Wiley ID 1133574