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Itaconic acid
SpectraBase Compound ID IgyZTrCTyAa
InChI InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
InChIKey LVHBHZANLOWSRM-UHFFFAOYSA-N
Mol Weight 130.1 g/mol
Molecular Formula C5H6O4
Exact Mass 130.026609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlkgcJEFKSt
Name Butanedioic acid, methylene-
Alternate Name(s) 2-Methylene-succinic acid 2-Methylenesuccinic acid 2-Methylenebutanedioic acid 2-Methylidenebutanedioic acid 2-Propene-1,2-dicarboxylic acid Itaconate Itaconic acid Methylenebutanedioic acid Methylenesuccinic acid Propylenedicarboxylic acid Succinic acid, methylene- AI3-16901 EINECS 202-599-6 HSDB 5308 NSC 3357
CAS Registry Number 97-65-4
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Formula C5H6O4
InChI InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
InChIKey LVHBHZANLOWSRM-UHFFFAOYSA-N
Molecular Weight 130.099 g/mol
SMILES OC(CC(C(=O)O)=C)=O
SPLASH splash10-000l-9100000000-8830bb1196cc70046238
Source of Spectrum O-2-600-8
Wiley ID 5581