Chem
J-GLOBAL ID:200907017221561678   Nikkaji number:J1.815.861B

2-(3,3-Dimethyl-1-butynyl)phenyl isocyanate

2-(3,3-ジメチル-1-ブチニル)フェニルイソシアナート
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: C13H13NO
Molecular formula furigana: C13-H13-N-O
Molecular weight: 199.253
InChI: InChI=1S/C13H13NO/c1-13(2,3)9-8-11-6-4-5-7-12(11)14-10-15/h4-7H,1-3H3
InChI key: CSFQWYLLGFAAGQ-UHFFFAOYSA-N
SMILES: CC(C)(C)C#Cc1ccccc1N=C=O
Systematic name  (3):
  • 2-(3,3-ジメチル-1-ブチニル)フェニルイソシアナート
  • 1-(3,3-ジメチルブタ-1-イン-1-イル)-2-イソシアナトベンゼン
  • 1-(3,3-dimethylbut-1-yn-1-yl)-2-isocyanatobenzene
Other name (1):
  • 2-(3,3-Dimethyl-1-butynyl)phenyl isocyanate
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