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3-Hexanol, 4,4-bis(phenylthio)-
SpectraBase Compound ID 8IOGBXGyVW8
InChI InChI=1S/C18H22OS2/c1-3-17(19)18(4-2,20-15-11-7-5-8-12-15)21-16-13-9-6-10-14-16/h5-14,17,19H,3-4H2,1-2H3
InChIKey HBDZGXOSDSXPFN-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 HlwZdd0T20h
Name 3-Hexanol, 4,4-bis(phenylthio)-
CAS Registry Number 62870-19-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22OS2
InChI InChI=1S/C18H22OS2/c1-3-17(19)18(4-2,20-15-11-7-5-8-12-15)21-16-13-9-6-10-14-16/h5-14,17,19H,3-4H2,1-2H3
InChIKey HBDZGXOSDSXPFN-UHFFFAOYSA-N
Molecular Weight 318.493 g/mol
SMILES OC(C(Sc1ccccc1)(Sc1ccccc1)CC)CC
SPLASH splash10-0a4i-7390000000-206fdcf6c6874a5de5ab
Source of Spectrum KC-1979-1083-0
Synonyms 4,4-bis(phenylthio)hexan-3-ol 4,4-bis(phenylthio)-3-hexanol
Wiley ID 1318482