Chem
J-GLOBAL ID：200907069739179777
Nikkaji number：J1.448.518J
2,4-Dimethyl-8H-cyclohepta[d]oxepin-8-one
2,4-ジメチル-8H-3-オキサヘプタレン-8-オン
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： C13H12O2
Molecular formula furigana： C13-H12-O2
Molecular weight： 200.237
InChI：
InChI=1S/C13H12O2/c1-9-7-11-3-5-13(14)6-4-12(11)8-10(2)15-9/h3-8H,1-2H3
InChI key：
LLJUPTMFFRMISS-UHFFFAOYSA-N
SMILES：
CC1=Cc2ccc(=O)ccc2C=C(C)O1
Systematic name (3)：
- 2,4-ジメチル-8H-シクロヘプタ[d]オキセピン-8-オン
- 2,4-ジメチル-8H-3-オキサヘプタレン-8-オン
- 2,4-dimethyl-8H-3-oxaheptalen-8-one
- 2,4-Dimethyl-8H-cyclohepta[d]oxepin-8-one
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