Chem
J-GLOBAL ID:200907001612201192   Nikkaji number:J2.376.052E

3-[(1S,3S,4S)-3-Bromo-4-chloro-4-methylcyclohexyl]-6-methyl-5-hexene-2-one

3-[(1S,3S,4S)-3-ブロモ-4-クロロ-4-メチルシクロヘキシル]ヘプタ-5-エン-2-オン
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: C14H22BrClO
Molecular formula furigana: C14-H22-BR-CL-O
Molecular weight: 321.680
InChI: InChI=1S/C14H22BrClO/c1-4-5-6-12(10(2)17)11-7-8-14(3,16)13(15)9-11/h4-5,11-13H,6-9H2,1-3H3/t11-,12?,13-,14-/m0/s1
InChI key: RCHPYEBZGQNWML-FTKZKSHWSA-N
SMILES: CC=CCC([C@H]1CC[C@](C)(Cl)[C@@H](Br)C1)C(=O)C
Systematic name  (3):
  • 3-[(1S,3S,4S)-3-ブロモ-4-クロロ-4-メチルシクロヘキシル]-6-メチル-5-ヘキセン-2-オン
  • 3-[(1S,3S,4S)-3-ブロモ-4-クロロ-4-メチルシクロヘキシル]ヘプタ-5-エン-2-オン
  • 3-[(1S,3S,4S)-3-bromo-4-chloro-4-methylcyclohexyl]hept-5-en-2-one
Other name (1):
  • 3-[(1S,3S,4S)-3-Bromo-4-chloro-4-methylcyclohexyl]-6-methyl-5-hexene-2-one
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