Chem
J-GLOBAL ID：200907024724710316
Nikkaji number：J2.592.568H
(1-13C,2,3-2H2)Fumaric acid
(1-13C,2,3-2H2)フマル酸
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C3[13C]H2[2H]2O4
Molecular formula furigana： C4-H4-O4
Molecular weight： 119.077
InChI：
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+/i1D,2D,3+1
InChI key：
VZCYOOQTPOCHFL-KGGDLBJGSA-N
SMILES：
C(=C(\[2H])/[13C](=O)O)(/[2H])\C(=O)O
Systematic name (3)：
- (1-13C,2,3-2H2)フマル酸
- (2E)-(1-13C,2H2)ブタ-2-エン二酸
- (2E)-(1-13C,2H2)but-2-enedioic acid
- (1-13C,2,3-2H2)Fumaric acid
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