Chem
J-GLOBAL ID：200907079841166960
Nikkaji number：J2.113.484H
2,4,5,6,7,7a-Hexahydro-4β-acetoxy-7aα-methyl-1H-indene-1α-carbonitrile
2,4,5,6,7,7a-ヘキサヒドロ-4β-アセトキシ-7aα-メチル-1H-インデン-1α-カルボニトリル
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： C13H17NO2
Molecular formula furigana： C13-H17-N-O2
Molecular weight： 219.284
InChI：
InChI=1S/C13H17NO2/c1-9(15)16-12-4-3-7-13(2)10(8-14)5-6-11(12)13/h6,10,12H,3-5,7H2,1-2H3/t10-,12-,13-/m0/s1
InChI key：
NGUPUJSHGFGNHD-DRZSPHRISA-N
SMILES：
CC(=O)O[C@H]1CCC[C@@]2(C)[C@@H](CC=C12)C#N
Systematic name (5)：
- 2,4,5,6,7,7a-ヘキサヒドロ-4β-アセトキシ-7aα-メチル-1H-インデン-1α-カルボニトリル
- (1R,4S,7aS)-4-アセトキシ-1,2,5,6,7,7a-ヘキサヒドロ-7a-メチル-4H-インデン-1-カルボニトリル
- (1R,4S,7aS)-4-アセトキシ-7a-メチル-2,4,5,6,7,7a-ヘキサヒドロ-1H-インデン-1-カルボニトリル
- (1R,4S,7aS)-1-シアノ-7a-メチル-2,4,5,6,7,7a-ヘキサヒドロ-1H-インデン-4-イル アセタート
- (1R,4S,7aS)-1-cyano-7a-methyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl acetate
- 2,4,5,6,7,7a-Hexahydro-4β-acetoxy-7aα-methyl-1H-indene-1α-carbonitrile
- (1R,4S,7aS)-4-Acetoxy-1,2,5,6,7,7a-hexahydro-7a-methyl-4H-indene-1-carbonitrile
- (1R,4S,7aS)-4-Acetoxy-7a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene-1-carbonitrile
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