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(+-)-(1S*,2S*,3R*,4S*)-3-methyl-1-phenyl-2-(phenylthio)-1,4-pentanediol
SpectraBase Compound ID 6B5Lo9khJq5
InChI InChI=1S/C18H22O2S/c1-13(14(2)19)18(21-16-11-7-4-8-12-16)17(20)15-9-5-3-6-10-15/h3-14,17-20H,1-2H3/t13-,14+,17+,18+/m1/s1
InChIKey BJMYALJWCURQLE-BODMPHMZSA-N
Mol Weight 302.43 g/mol
Molecular Formula C18H22O2S
Exact Mass 302.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDAZ6R9vYfV
Name (+-)-(1S*,2S*,3R*,4S*)-3-methyl-1-phenyl-2-(phenylthio)-1,4-pentanediol
CAS Registry Number 80125-56-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O2S
InChI InChI=1S/C18H22O2S/c1-13(14(2)19)18(21-16-11-7-4-8-12-16)17(20)15-9-5-3-6-10-15/h3-14,17-20H,1-2H3/t13-,14+,17+,18+/m1/s1
InChIKey BJMYALJWCURQLE-BODMPHMZSA-N
Molecular Weight 302.432 g/mol
SMILES O[C@]([C@]([C@@]([C@](c1ccccc1)(O)[H])(Sc1ccccc1)[H])(C)[H])(C)[H]
SPLASH splash10-0udj-0900000000-f7c04168feb4c82a5368
Source of Spectrum F-42-3016-10
Synonyms (5S)-1,3-dideoxy-3-methyl-5-C-phenyl-4-S-phenyl-4-thio-D-xylitol
Wiley ID 1304777