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(2S,3R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl 2-hydroxy-2-(2-oxocyclopentyl)propanoate
SpectraBase Compound ID Bg2ajObQnVv
InChI InChI=1S/C24H34O4/c1-16-13-14-19(23(2,3)17-9-6-5-7-10-17)21(15-16)28-22(26)24(4,27)18-11-8-12-20(18)25/h5-7,9-10,16,18-19,21,27H,8,11-15H2,1-4H3/t16-,18-,19-,21-,24+/m1/s1
InChIKey GDFCSMHGOAZVFU-AVRQGZRZSA-N
Mol Weight 386.5 g/mol
Molecular Formula C24H34O4
Exact Mass 386.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58mE6xg8pMp
Name (2S,3R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl 2-hydroxy-2-(2-oxocyclopentyl)propanoate
Alternate Name(s) (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (2S)-2-hydroxy-2-[(1S)-2-oxocyclopentyl]propanoate (S)-2-Hydroxy-2-((S)-2-oxo-cyclopentyl)-propionic acid (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)-cyclohexyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O4
InChI InChI=1S/C24H34O4/c1-16-13-14-19(23(2,3)17-9-6-5-7-10-17)21(15-16)28-22(26)24(4,27)18-11-8-12-20(18)25/h5-7,9-10,16,18-19,21,27H,8,11-15H2,1-4H3/t16-,18-,19-,21-,24+/m1/s1
InChIKey GDFCSMHGOAZVFU-AVRQGZRZSA-N
Molecular Weight 386.532 g/mol
SMILES O[C@](C(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O)([C@]1(C(=O)CCC1)[H])C
SPLASH splash10-014i-0900000000-478c0ca1006ad21ab316
Source of Spectrum KC-1993-1739-19
Wiley ID 778421