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6-[(2R,3S)-3-(tert-butylthio)-2-hydroxy-4-phenyl-butyl]-2,2-dimethyl-1,3-dioxin-4-one

View entire compound with spectra: 1 MS (GC)

6-[(2R,3S)-3-(tert-butylthio)-2-hydroxy-4-phenyl-butyl]-2,2-dimethyl-1,3-dioxin-4-one
SpectraBase Compound ID AnSExrsB5pp
InChI InChI=1S/C20H28O4S/c1-19(2,3)25-17(11-14-9-7-6-8-10-14)16(21)12-15-13-18(22)24-20(4,5)23-15/h6-10,13,16-17,21H,11-12H2,1-5H3/t16-,17+/m1/s1
InChIKey PMTJMCABHNDBBD-SJORKVTESA-N
Mol Weight 364.5 g/mol
Molecular Formula C20H28O4S
Exact Mass 364.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bM9ibD0T68
Name 6-[(2R,3S)-3-(tert-butylthio)-2-hydroxy-4-phenyl-butyl]-2,2-dimethyl-1,3-dioxin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4S
InChI InChI=1S/C20H28O4S/c1-19(2,3)25-17(11-14-9-7-6-8-10-14)16(21)12-15-13-18(22)24-20(4,5)23-15/h6-10,13,16-17,21H,11-12H2,1-5H3/t16-,17+/m1/s1
InChIKey PMTJMCABHNDBBD-SJORKVTESA-N
Molecular Weight 364.500 g/mol
SMILES O[C@@]([C@@](SC(C)(C)C)(Cc1ccccc1)[H])(CC1=CC(=O)OC(O1)(C)C)[H]
SPLASH splash10-0a4l-9520000000-57c0521096189d6cc8f0
Source of Spectrum F-52-2906-6
Synonyms 6-[(2R,3S)-3-tert-butylsulfanyl-2-hydroxy-4-phenyl-butyl]-2,2-dimethyl-1,3-dioxin-4-one 6-[(2R,3S)-3-tert-butylsulfanyl-2-oxidanyl-4-phenyl-butyl]-2,2-dimethyl-1,3-dioxin-4-one 6-[(2R,3S)-3-(tert-butylthio)-2-hydroxy-4-phenylbutyl]-2,2-dimethyl-1,3-dioxin-4-one
Wiley ID 795444