Chem
J-GLOBAL ID：200907000601010216
Nikkaji number：J1.026.658K
(2R,3S)-2-Methyl-3-phenyl-1,3-heptanediol
(2R,3S)-2-メチル-3-フェニル-1,3-ヘプタンジオール
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： C14H22O2
Molecular formula furigana： C14-H22-O2
Molecular weight： 222.328
InChI：
InChI=1S/C14H22O2/c1-3-4-10-14(16,12(2)11-15)13-8-6-5-7-9-13/h5-9,12,15-16H,3-4,10-11H2,1-2H3/t12-,14+/m1/s1
InChI key：
NKFPPRDNMBDTDE-OCCSQVGLSA-N
SMILES：
CCCC[C@](O)([C@H](C)CO)c1ccccc1
Systematic name (3)：
- (2R,3S)-2-メチル-3-フェニル-1,3-ヘプタンジオール
- (2R,3S)-2-メチル-3-フェニルヘプタン-1,3-ジオール
- (2R,3S)-2-methyl-3-phenylheptane-1,3-diol
- (2R,3S)-2-Methyl-3-phenyl-1,3-heptanediol
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