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2-Hydroxy-4-oxopentanoic acid 5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl ester
SpectraBase Compound ID BJYZqX5ZZQ1
InChI InChI=1S/C21H30O4/c1-14-10-11-17(21(3,4)16-8-6-5-7-9-16)19(12-14)25-20(24)18(23)13-15(2)22/h5-9,14,17-19,23H,10-13H2,1-4H3/t14-,17-,18?,19-/m1/s1
InChIKey RBENLESEFQDVPU-VPBYMLOASA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IENCQVCwshb
Name 2-Hydroxy-4-oxopentanoic acid 5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-14-10-11-17(21(3,4)16-8-6-5-7-9-16)19(12-14)25-20(24)18(23)13-15(2)22/h5-9,14,17-19,23H,10-13H2,1-4H3/t14-,17-,18?,19-/m1/s1
InChIKey RBENLESEFQDVPU-VPBYMLOASA-N
Molecular Weight 346.467 g/mol
SMILES OC(C(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O)CC(=O)C
SPLASH splash10-00kf-9650000000-74002505b602617692b4
Source of Spectrum KC-57-4236-2
Synonyms 2-Hydroxy-4-oxopentanoic acid 5-methyl-2-(1-methylphenylethyl)cyclohexyl ester 5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl 2-hydroxy-4-oxopentanoate
Wiley ID 1624149