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(3RS,4RS)-2,4-Dimethyl-3,5,5-tris(phenylthio)nonan-2-ol
SpectraBase Compound ID 2gmnyvbBGgL
InChI InChI=1S/C29H36OS3/c1-5-6-22-29(32-25-18-12-8-13-19-25,33-26-20-14-9-15-21-26)23(2)27(28(3,4)30)31-24-16-10-7-11-17-24/h7-21,23,27,30H,5-6,22H2,1-4H3/t23-,27-/m0/s1
InChIKey WVDBAFBIDUHCFR-HOFKKMOUSA-N
Mol Weight 496.8 g/mol
Molecular Formula C29H36OS3
Exact Mass 496.192829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNhwuHAIgOx
Name (3RS,4RS)-2,4-Dimethyl-3,5,5-tris(phenylthio)nonan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H36OS3
InChI InChI=1S/C29H36OS3/c1-5-6-22-29(32-25-18-12-8-13-19-25,33-26-20-14-9-15-21-26)23(2)27(28(3,4)30)31-24-16-10-7-11-17-24/h7-21,23,27,30H,5-6,22H2,1-4H3/t23-,27-/m0/s1
InChIKey WVDBAFBIDUHCFR-HOFKKMOUSA-N
Molecular Weight 496.786 g/mol
SMILES OC([C@]([C@@](C(Sc1ccccc1)(Sc1ccccc1)CCCC)(C)[H])(Sc1ccccc1)[H])(C)C
SPLASH splash10-03di-0910000000-8fa6fb47de0a438d37de
Source of Spectrum KC-0-2959-16
Synonyms 2,4-Dimethyl-3,5,5-tris(phenylsulfanyl)-2-nonanol
Wiley ID 782393