Chem
J-GLOBAL ID：200907008688324964   Nikkaji number：J2.309.094E

3-[1-Cyano-1-(benzyloxymethyl)-2-(benzyloxy)ethyl]cyclohexanone

3-[1-シアノ-1-(ベンジルオキシメチル)-2-(ベンジルオキシ)エチル]シクロヘキサノン
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： C24H27NO3
Molecular formula furigana： C24-H27-N-O3
Molecular weight： 377.484
InChI： InChI=1S/C24H27NO3/c25-17-24(22-12-7-13-23(26)14-22,18-27-15-20-8-3-1-4-9-20)19-28-16-21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-16,18-19H2
InChI key： XBBCBUVGUJABNU-UHFFFAOYSA-N
SMILES： O=C1CCCC(C1)C(COCc1ccccc1)(COCc1ccccc1)C#N
Systematic name  (3)：
  • 3-[1-シアノ-1-(ベンジルオキシメチル)-2-(ベンジルオキシ)エチル]シクロヘキサノン
  • 3-(ベンジルオキシ)-2-[(ベンジルオキシ)メチル]-2-(3-オキソシクロヘキシル)プロパンニトリル
  • 3-(benzyloxy)-2-[(benzyloxy)methyl]-2-(3-oxocyclohexyl)propanenitrile
Other name (1)：
  • 3-[1-Cyano-1-(benzyloxymethyl)-2-(benzyloxy)ethyl]cyclohexanone
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