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(3RS,4RS)-2,4,6-Trimethyl-3,5,5-tris(phenylthio)heptan-2-ol
SpectraBase Compound ID H5rUgPKChjK
InChI InChI=1S/C28H34OS3/c1-21(2)28(31-24-17-11-7-12-18-24,32-25-19-13-8-14-20-25)22(3)26(27(4,5)29)30-23-15-9-6-10-16-23/h6-22,26,29H,1-5H3/t22-,26-/m0/s1
InChIKey TZTAYNKSXPLSRN-NVQXNPDNSA-N
Mol Weight 482.8 g/mol
Molecular Formula C28H34OS3
Exact Mass 482.177179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cbCvoRAkOn
Name (3RS,4RS)-2,4,6-Trimethyl-3,5,5-tris(phenylthio)heptan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H34OS3
InChI InChI=1S/C28H34OS3/c1-21(2)28(31-24-17-11-7-12-18-24,32-25-19-13-8-14-20-25)22(3)26(27(4,5)29)30-23-15-9-6-10-16-23/h6-22,26,29H,1-5H3/t22-,26-/m0/s1
InChIKey TZTAYNKSXPLSRN-NVQXNPDNSA-N
Molecular Weight 482.759 g/mol
SMILES OC([C@]([C@@](C(Sc1ccccc1)(Sc1ccccc1)C(C)C)(C)[H])(Sc1ccccc1)[H])(C)C
SPLASH splash10-03di-0950000000-956bc18257d6c75aeaf2
Source of Spectrum KC-0-2959-16
Synonyms 2,4,6-trimethyl-3,5,5-tris(phenylsulfanyl)-2-heptanol
Wiley ID 782395