Chem
J-GLOBAL ID:200907089068270007   Nikkaji number:J1.428.131B

(2,3,4,5,6-2H5,α,β-13C2)trans-Cinnamic acid

(2,3,4,5,6-2H5,α,β-13C2)trans-けい皮酸
Substance type:
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
Molecular formula: C7[13C]2H3[2H]5O2
Molecular formula furigana: C9-H8-O2
Molecular weight: 155.176
InChI: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+/i1D,2D,3D,4D,5D,6+1,7+1
InChI key: WBYWAXJHAXSJNI-JEVSBISLSA-N
SMILES: c1([2H])c([2H])c([2H])c(/[13CH]=[13CH]/C(=O)O)c([2H])c1[2H]
Systematic name  (3):
  • (2,3,4,5,6-2H5,α,β-13C2)trans-けい皮酸
  • (2E)-3-[(2,3,4,5,6-2H5)フェニル](2,3-13C2)プロパ-2-エン酸
  • (2E)-3-[(2,3,4,5,6-2H5)phenyl](2,3-13C2)prop-2-enoic acid
Other name (1):
  • (2,3,4,5,6-2H5,α,β-13C2)trans-Cinnamic acid
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