Chem
J-GLOBAL ID：200907036497915621
Nikkaji number：J1.968.448B
(2E,5E)-4-Methyl-2,5-heptadienoic acid butyl ester
(2E,5E)-4-メチル-2,5-ヘプタジエン酸ブチル
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： C12H20O2
Molecular formula furigana： C12-H20-O2
Molecular weight： 196.290
InChI：
InChI=1S/C12H20O2/c1-4-6-10-14-12(13)9-8-11(3)7-5-2/h5,7-9,11H,4,6,10H2,1-3H3/b7-5+,9-8+
InChI key：
VINQJKAITJXCJZ-ZIRGRKGMSA-N
SMILES：
CCCCOC(=O)/C=C/C(C)/C=C/C
Systematic name (3)：
- (2E,5E)-4-メチル-2,5-ヘプタジエン酸ブチル
- ブチル (2E,5E)-4-メチルヘプタ-2,5-ジエノアート
- butyl (2E,5E)-4-methylhepta-2,5-dienoate
- (2E,5E)-4-Methyl-2,5-heptadienoic acid butyl ester
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