Chem
J-GLOBAL ID:200907002529033977
Nikkaji number:J810.305D
(1S,4R,5R)-4-Bromo-1,5-dimethyl-7-(4-methylphenyl)bicyclo[3.2.1]oct-6-en-2-one
(1S,4R,5R)-4-ブロモ-1,5-ジメチル-7-(4-メチルフェニル)ビシクロ[3.2.1]オクタ-6-エン-2-オン
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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:
C17 H19 BrO
Molecular formula furigana:
C17-H19-BR-O
Molecular weight:
319.242
InChI:
InChI=1S/C17H19BrO/c1-11-4-6-12(7-5-11)13-9-16(2)10-17(13,3)15(19)8-14(16)18/h4-7,9,14H,8,10H2,1-3H3/t14-,16+,17+/m1/s1
InChI key:
HQOGULJROHDMKR-PVAVHDDUSA-N
SMILES:
Cc1ccc(cc1)C1=C[C@@]2(C)C[C@]1(C)C(=O)C[C@H]2Br
Systematic name (2):
(1S,4R,5R)-4-ブロモ-1,5-ジメチル-7-(4-メチルフェニル)ビシクロ[3.2.1]オクタ-6-エン-2-オン
(1S,4R,5R)-4-bromo-1,5-dimethyl-7-(4-methylphenyl)bicyclo[3.2.1]oct-6-en-2-one
Other name (1):
(1S,4R,5R)-4-Bromo-1,5-dimethyl-7-(4-methylphenyl)bicyclo[3.2.1]oct-6-en-2-one
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