Chem
J-GLOBAL ID：201507005021596264
Nikkaji number：J3.416.088K
[[[(2S)-2-Isocyanopentyl]oxy]methyl]benzene
({[(2S)-2-イソシアノペンチル]オキシ}メチル)ベンゼン
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： C12[C-]H17[N+]O
Molecular formula furigana： C13-H17-N-O
Molecular weight： 203.285
InChI：
InChI=1S/C13H17NO/c1-3-7-13(14-2)11-15-10-12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11H2,1H3/t13-/m0/s1
InChI key：
CIBJHPWRTPUSIN-ZDUSSCGKSA-N
SMILES：
CCC[C@@H](COCc1ccccc1)[N+]#[C-]
Systematic name (3)：
- [[[(2S)-2-イソシアノペンチル]オキシ]メチル]ベンゼン
- ({[(2S)-2-イソシアノペンチル]オキシ}メチル)ベンゼン
- ({[(2S)-2-isocyanopentyl]oxy}methyl)benzene
- [[[(2S)-2-Isocyanopentyl]oxy]methyl]benzene
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