For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2R,3S)-2,6-Dimethylphenyl 3-hydroxy-2,4-dimethyl-4-(phenylsulfanyl)pentanoate
SpectraBase Compound ID 8fQJyVD1nSu
InChI InChI=1S/C21H26O3S/c1-14-10-9-11-15(2)18(14)24-20(23)16(3)19(22)21(4,5)25-17-12-7-6-8-13-17/h6-13,16,19,22H,1-5H3/t16-,19+/m1/s1
InChIKey VTCXGXSIZORHCX-APWZRJJASA-N
Mol Weight 358.5 g/mol
Molecular Formula C21H26O3S
Exact Mass 358.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4gfBl0NpyZQ
Name (2R,3S)-2,6-Dimethylphenyl 3-hydroxy-2,4-dimethyl-4-(phenylsulfanyl)pentanoate
Alternate Name(s) 2,6-Dimethylphenyl (2R,3S)-3-hydroxy-2,4-dimethyl-4-(phenylsulfanyl)pentanoate anti-(2SR,3RS)-2,6-Dimethylphenyl 3-hydroxy-2,4-dimethyl-4-(phenylsulfanyl)pentanoate (2R,3S)-3-hydroxy-2,4-dimethyl-4-(phenylthio)pentanoic acid (2,6-dimethylphenyl) ester (2,6-dimethylphenyl) (2R,3S)-3-hydroxy-2,4-dimethyl-4-phenylsulfanylpentanoate (2,6-dimethylphenyl) (2R,3S)-3-hydroxy-2,4-dimethyl-4-phenylsulfanyl-pentanoate (2,6-dimethylphenyl) (2R,3S)-2,4-dimethyl-3-oxidanyl-4-phenylsulfanyl-pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3S
InChI InChI=1S/C21H26O3S/c1-14-10-9-11-15(2)18(14)24-20(23)16(3)19(22)21(4,5)25-17-12-7-6-8-13-17/h6-13,16,19,22H,1-5H3/t16-,19+/m1/s1
InChIKey VTCXGXSIZORHCX-APWZRJJASA-N
Molecular Weight 358.496 g/mol
SMILES O[C@](C(Sc1ccccc1)(C)C)([C@](C(Oc1c(cccc1C)C)=O)(C)[H])[H]
SPLASH splash10-0fe0-0963000000-a9f72c1ed5c2e83724f5
Source of Spectrum KC-0-540-28
Wiley ID 830034