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Chem
J-GLOBAL ID：200907013191228450
Nikkaji number：J1.398.777G 3-Oxo-5-(3,4,5-trimethoxyphenyl)valeronitrile
3-オキソ-5-(3,4,5-トリメトキシフェニル)バレロニトリル
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： C14H17NO4
Molecular formula furigana： C14-H17-N-O4
Molecular weight： 263.293
InChI：
InChI=1S/C14H17NO4/c1-17-12-8-10(4-5-11(16)6-7-15)9-13(18-2)14(12)19-3/h8-9H,4-6H2,1-3H3
InChI key：
LIISCEGVXGXUQU-UHFFFAOYSA-N
SMILES：
COc1cc(CCC(=O)CC#N)cc(OC)c1OC
Systematic name (3)： - 3-オキソ-5-(3,4,5-トリメトキシフェニル)バレロニトリル
- 3-オキソ-5-(3,4,5-トリメトキシフェニル)ペンタンニトリル
- 3-oxo-5-(3,4,5-trimethoxyphenyl)pentanenitrile
- 3-Oxo-5-(3,4,5-trimethoxyphenyl)valeronitrile
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