Chem
J-GLOBAL ID:201507024897134024
Nikkaji number:J3.374.657A
(R)-2-Acetyl-2-methyl-5-oxoheptanoic acid 2-(1-ethylpropoxy)phenyl ester
(R)-2-アセチル-2-メチル-5-オキソヘプタン酸2-(1-エチルプロポキシ)フェニル
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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:
C21 H30 O5
Molecular formula furigana:
C21-H30-O5
Molecular weight:
362.466
InChI:
InChI=1S/C21H30O5/c1-6-16(23)13-14-21(5,15(4)22)20(24)26-19-12-10-9-11-18(19)25-17(7-2)8-3/h9-12,17H,6-8,13-14H2,1-5H3/t21-/m1/s1
InChI key:
WKICBPYNSLLTDB-OAQYLSRUSA-N
SMILES:
CCC(CC)Oc1ccccc1OC(=O)[C@](C)(CCC(=O)CC)C(=O)C
Systematic name (3):
(R)-2-アセチル-2-メチル-5-オキソヘプタン酸2-(1-エチルプロポキシ)フェニル
2-(ペンタン-3-イルオキシ)フェニル (2R)-2-アセチル-2-メチル-5-オキソヘプタノアート
2-(pentan-3-yloxy)phenyl (2R)-2-acetyl-2-methyl-5-oxoheptanoate
Other name (1):
(R)-2-Acetyl-2-methyl-5-oxoheptanoic acid 2-(1-ethylpropoxy)phenyl ester
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