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threo (2S,3R)-3-(4-Methoxyphenyl)-1,1-bis(p-tolylthio)propane-2,3-diol
SpectraBase Compound ID sbQHL6HHkU
InChI InChI=1S/C24H26O3S2/c1-16-4-12-20(13-5-16)28-24(29-21-14-6-17(2)7-15-21)23(26)22(25)18-8-10-19(27-3)11-9-18/h4-15,22-26H,1-3H3/t22-,23+/m1/s1
InChIKey UQIDCBGGCHXXHR-PKTZIBPZSA-N
Mol Weight 426.59 g/mol
Molecular Formula C24H26O3S2
Exact Mass 426.132337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zB7l2VXCaK
Name threo (2S,3R)-3-(4-Methoxyphenyl)-1,1-bis(p-tolylthio)propane-2,3-diol
CAS Registry Number 130718-72-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26O3S2
InChI InChI=1S/C24H26O3S2/c1-16-4-12-20(13-5-16)28-24(29-21-14-6-17(2)7-15-21)23(26)22(25)18-8-10-19(27-3)11-9-18/h4-15,22-26H,1-3H3/t22-,23+/m1/s1
InChIKey UQIDCBGGCHXXHR-PKTZIBPZSA-N
Molecular Weight 426.589 g/mol
SMILES O[C@@]([C@@](C(Sc1ccc(cc1)C)Sc1ccc(cc1)C)(O)[H])(c1ccc(cc1)OC)[H]
SPLASH splash10-000i-0900000000-023e2e598c8c18049011
Source of Spectrum B-43-1206-0
Synonyms (1R,2S)-1-(4-methoxyphenyl)-3,3-bis[(4-methylphenyl)sulfanyl]-1,2-propanediol
Wiley ID 1379949