Chem
J-GLOBAL ID：201707007126338276
Nikkaji number：J3.652.890G
(2S,4S)-5-Benzyloxy-2,4-dimethylvaleraldehyde
(2S,4S)-5-ベンジルオキシ-2,4-ジメチルバレルアルデヒド
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： C14H20O2
Molecular formula furigana： C14-H20-O2
Molecular weight： 220.312
InChI：
InChI=1S/C14H20O2/c1-12(9-15)8-13(2)10-16-11-14-6-4-3-5-7-14/h3-7,9,12-13H,8,10-11H2,1-2H3/t12-,13-/m0/s1
InChI key：
AZHHQVXMOQAVQL-STQMWFEESA-N
SMILES：
C[C@H](COCc1ccccc1)C[C@H](C)C=O
Systematic name (3)：
- (2S,4S)-5-ベンジルオキシ-2,4-ジメチルバレルアルデヒド
- (2S,4S)-5-(ベンジルオキシ)-2,4-ジメチルペンタナール
- (2S,4S)-5-(benzyloxy)-2,4-dimethylpentanal
- (2S,4S)-5-Benzyloxy-2,4-dimethylvaleraldehyde
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