Chem
J-GLOBAL ID：200907001935049098
Nikkaji number：J1.199.241B
(E)-3-Phenyl(2-13C,2,3-2H2)propenoic acid
(E)-3-フェニル(2-13C,2,3-2H2)プロペン酸
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： C8[13C]H6[2H]2O2
Molecular formula furigana： C9-H8-O2
Molecular weight： 151.166
InChI：
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+/i6D,7+1D
InChI key：
WBYWAXJHAXSJNI-ZFAOUDJGSA-N
SMILES：
C(=[13C](\[2H])/C(=O)O)(/[2H])\c1ccccc1
Systematic name (3)：
- (E)-3-フェニル(2-13C,2,3-2H2)プロペン酸
- (2E)-3-フェニル(2-13C,2H2)プロパ-2-エン酸
- (2E)-3-phenyl(2-13C,2H2)prop-2-enoic acid
- (E)-3-Phenyl(2-13C,2,3-2H2)propenoic acid
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