Chem
J-GLOBAL ID：201107060104084991
Nikkaji number：J2.944.151K
(13C6)Vanillin
(13C6)バニリン
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： C2[13C]6H8O3
Molecular formula furigana： C8-H8-O3
Molecular weight： 158.103
InChI：
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3/i2+1,3+1,4+1,6+1,7+1,8+1
InChI key：
MWOOGOJBHIARFG-BOCFXHSMSA-N
SMILES：
CO[13c]1[13cH][13c](C=O)[13cH][13cH][13c]1O
Systematic name (3)：
- 3-メトキシ-4-ヒドロキシ(1,2,3,4,5,6-13C6)ベンズアルデヒド
- 4-ヒドロキシ-3-メトキシ(1,2,3,4,5,6-13C6)ベンズアルデヒド
- 4-hydroxy-3-methoxy(1,2,3,4,5,6-13C6)benzaldehyde
- 3-Methoxy-4-hydroxy(1,2,3,4,5,6-13C6)benzaldehyde
- (13C6)バニリン
- (13C6)Vanillin
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