Chem
J-GLOBAL ID：200907002505104563
Nikkaji number：J1.593.125F
1β,4β-Dimethyl-7-oxabicyclo[2.2.1]hepta-5-ene-2β-carbonitrile
1β,4β-ジメチル-7-オキサビシクロ[2.2.1]ヘプタ-5-エン-2β-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： C9H11NO
Molecular formula furigana： C9-H11-N-O
Molecular weight： 149.193
InChI：
InChI=1S/C9H11NO/c1-8-3-4-9(2,11-8)7(5-8)6-10/h3-4,7H,5H2,1-2H3/t7-,8-,9+/m1/s1
InChI key：
MIWMPQMHVZOSLJ-HLTSFMKQSA-N
SMILES：
C[C@@]12C[C@H](C#N)[C@@](C)(O1)C=C2
Systematic name (3)：
- 1β,4β-ジメチル-7-オキサビシクロ[2.2.1]ヘプタ-5-エン-2β-カルボニトリル
- (1S,2R,4S)-1,4-ジメチル-7-オキサビシクロ[2.2.1]ヘプタ-5-エン-2-カルボニトリル
- (1S,2R,4S)-1,4-dimethyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile
- 1β,4β-Dimethyl-7-oxabicyclo[2.2.1]hepta-5-ene-2β-carbonitrile
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