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(2R,4R,5R)-4-[(1S)-2,2-bis(ethylsulfanyl)-1-hydroxy-ethyl]-2-phenyl-1,3-dioxan-5-ol

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(2R,4R,5R)-4-[(1S)-2,2-bis(ethylsulfanyl)-1-hydroxy-ethyl]-2-phenyl-1,3-dioxan-5-ol
SpectraBase Compound ID 9L1idCygBoB
InChI InChI=1S/C16H24O4S2/c1-3-21-16(22-4-2)13(18)14-12(17)10-19-15(20-14)11-8-6-5-7-9-11/h5-9,12-18H,3-4,10H2,1-2H3/t12-,13+,14-,15-/m1/s1
InChIKey ZFFHLWUTLSNSIK-LXTVHRRPSA-N
Mol Weight 344.48 g/mol
Molecular Formula C16H24O4S2
Exact Mass 344.111602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gj2eKjMt324
Name (2R,4R,5R)-4-[(1S)-2,2-bis(ethylsulfanyl)-1-hydroxy-ethyl]-2-phenyl-1,3-dioxan-5-ol
CAS Registry Number 106450-92-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O4S2
InChI InChI=1S/C16H24O4S2/c1-3-21-16(22-4-2)13(18)14-12(17)10-19-15(20-14)11-8-6-5-7-9-11/h5-9,12-18H,3-4,10H2,1-2H3/t12-,13+,14-,15-/m1/s1
InChIKey ZFFHLWUTLSNSIK-LXTVHRRPSA-N
Molecular Weight 344.484 g/mol
SMILES O[C@@]1(CO[C@](O[C@]1([C@@](C(SCC)SCC)(O)[H])[H])(c1ccccc1)[H])[H]
SPLASH splash10-0550-1901000000-b02292ef34c9c1c16965
Source of Spectrum I-64-2401-3
Synonyms (2R,4R,5R)-4-[(1S)-2,2-bis(ethylsulfanyl)-1-oxidanyl-ethyl]-2-phenyl-1,3-dioxan-5-ol (2R,4R,5R)-4-[(1S)-2,2-bis(ethylthio)-1-hydroxy-ethyl]-2-phenyl-1,3-dioxan-5-ol (2R,4R,5R)-4-[(1S)-2,2-bis(ethylthio)-1-hydroxyethyl]-2-phenyl-1,3-dioxan-5-ol
Wiley ID 1337688