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6-((2R,3S)-3-tert-Butylsulfanyl-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-Butylsulfanyl-2-hydroxy-4-phenyl-butyl)-2,2-dimethyl-[1,3]dioxin-4-one
SpectraBase Compound ID FxMkcIl1Ftw
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-TZHYSIJRSA-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 ET3wsB3lWz2
Name 6-((2R,3S)-3-tert-Butylsulfanyl-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-TZHYSIJRSA-N
Molecular Weight 364.500 g/mol
SMILES O[C@@](C(SC(C)(C)C)Cc1ccccc1)(CC1=CC(=O)OC(O1)(C)C)[H]
SPLASH splash10-0a4l-9520000000-c46bc116c76e27884d0b
Source of Spectrum G-68-995-13
Synonyms 6-[(2R)-3-(tert-butylsulfanyl)-2-hydroxy-4-phenylbutyl]-2,2-dimethyl-4H-1,3-dioxin-4-one 6-[3'-(t-Butylsulfanyl)-2'-hydroxy-4'-(phenylbutyl)]-2,2-dimethyl-4H-1,3-dioxin-4-one
Wiley ID 1520421