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(2RS,3RS)-3-Methyl-2,4,4-tris(phenylthio)heptan-1-ol
SpectraBase Compound ID 8mQpi6tq5S3
InChI InChI=1S/C26H30OS3/c1-3-19-26(29-23-15-9-5-10-16-23,30-24-17-11-6-12-18-24)21(2)25(20-27)28-22-13-7-4-8-14-22/h4-18,21,25,27H,3,19-20H2,1-2H3
InChIKey LJPSZLCEPFLAIC-UHFFFAOYSA-N
Mol Weight 454.71 g/mol
Molecular Formula C26H30OS3
Exact Mass 454.145879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4k3cpJNVazn
Name (2RS,3RS)-3-Methyl-2,4,4-tris(phenylthio)heptan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30OS3
InChI InChI=1S/C26H30OS3/c1-3-19-26(29-23-15-9-5-10-16-23,30-24-17-11-6-12-18-24)21(2)25(20-27)28-22-13-7-4-8-14-22/h4-18,21,25,27H,3,19-20H2,1-2H3
InChIKey LJPSZLCEPFLAIC-UHFFFAOYSA-N
Molecular Weight 454.705 g/mol
SMILES OCC(C(C(Sc1ccccc1)(Sc1ccccc1)CCC)C)Sc1ccccc1
SPLASH splash10-03di-0901000000-a63b22ca18bc66734de4
Source of Spectrum KC-0-2963-27
Synonyms 3-Methyl-2,4,4-tris(phenylsulfanyl)-1-heptanol
Wiley ID 782370