Chem
J-GLOBAL ID:200907063059502516
Nikkaji number:J1.547.651F
2-Bromo-4-methoxy-4-(3-hydroxy-4-methylpentyl)-2,5-cyclohexadiene-1-one
2-ブロモ-4-メトキシ-4-(3-ヒドロキシ-4-メチルペンチル)-2,5-シクロヘキサジエン-1-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:
C13 H19 BrO3
Molecular formula furigana:
C13-H19-BR-O3
Molecular weight:
303.196
InChI:
InChI=1S/C13H19BrO3/c1-9(2)11(15)4-6-13(17-3)7-5-12(16)10(14)8-13/h5,7-9,11,15H,4,6H2,1-3H3
InChI key:
KOXXDPGSAIMOSP-UHFFFAOYSA-N
SMILES:
COC1(CCC(O)C(C)C)C=CC(=O)C(=C1)Br
Systematic name (3):
2-ブロモ-4-メトキシ-4-(3-ヒドロキシ-4-メチルペンチル)-2,5-シクロヘキサジエン-1-オン
2-ブロモ-4-(3-ヒドロキシ-4-メチルペンチル)-4-メトキシシクロヘキサ-2,5-ジエン-1-オン
2-bromo-4-(3-hydroxy-4-methylpentyl)-4-methoxycyclohexa-2,5-dien-1-one
Other name (1):
2-Bromo-4-methoxy-4-(3-hydroxy-4-methylpentyl)-2,5-cyclohexadiene-1-one
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