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4,6-bis(Phenylsulfanyl)hexan-5-ol

View entire compound with spectra: 1 MS (GC)

4,6-bis(Phenylsulfanyl)hexan-5-ol
SpectraBase Compound ID LNF1IaWqDzy
InChI InChI=1S/C18H22OS2/c1-2-9-18(21-16-12-7-4-8-13-16)17(19)14-20-15-10-5-3-6-11-15/h3-8,10-13,17-19H,2,9,14H2,1H3
InChIKey QQXTXVMZAYYWMQ-UHFFFAOYSA-N
Mol Weight 318.49 g/mol
Molecular Formula C18H22OS2
Exact Mass 318.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4tdeTMZCCg
Name 4,6-bis(Phenylsulfanyl)hexan-5-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22OS2
InChI InChI=1S/C18H22OS2/c1-2-9-18(21-16-12-7-4-8-13-16)17(19)14-20-15-10-5-3-6-11-15/h3-8,10-13,17-19H,2,9,14H2,1H3
InChIKey QQXTXVMZAYYWMQ-UHFFFAOYSA-N
Molecular Weight 318.493 g/mol
SMILES OC(C(CCC)Sc1ccccc1)CSc1ccccc1
SPLASH splash10-01b9-0904000000-3bd6068496f191f2f957
Source of Spectrum D1-328-2295-16
Synonyms 1,3-bis(phenylsulfanyl)-2-hexanol
Wiley ID 1548433