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1,1,2-Tris(phenylthio)octane
SpectraBase Compound ID HJ3cQK7C1TH
InChI InChI=1S/C26H30S3/c1-2-3-4-14-21-25(27-22-15-8-5-9-16-22)26(28-23-17-10-6-11-18-23)29-24-19-12-7-13-20-24/h5-13,15-20,25-26H,2-4,14,21H2,1H3
InChIKey YISGZTWEUABYKT-UHFFFAOYSA-N
Mol Weight 438.71 g/mol
Molecular Formula C26H30S3
Exact Mass 438.150964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AnrG413EmV
Name 1,1,2-Tris(phenylthio)octane
Alternate Name(s) 1,1,2-Tris(phenyltjio)octane {[1,2-Bis(phenylsulfanyl)octyl]sulfanyl}benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30S3
InChI InChI=1S/C26H30S3/c1-2-3-4-14-21-25(27-22-15-8-5-9-16-22)26(28-23-17-10-6-11-18-23)29-24-19-12-7-13-20-24/h5-13,15-20,25-26H,2-4,14,21H2,1H3
InChIKey YISGZTWEUABYKT-UHFFFAOYSA-N
Molecular Weight 438.706 g/mol
SMILES C(Sc1ccccc1)(Sc1ccccc1)C(Sc1ccccc1)CCCCCC
SPLASH splash10-0170-1973000000-095a78b413453e706136
Source of Spectrum J-58-4864-14
Wiley ID 1384223