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3-Hexanol, 2,2-bis(phenylthio)-
SpectraBase Compound ID FWxVozhFs3K
InChI InChI=1S/C18H22OS2/c1-3-10-17(19)18(2,20-15-11-6-4-7-12-15)21-16-13-8-5-9-14-16/h4-9,11-14,17,19H,3,10H2,1-2H3
InChIKey UORNQDXTSBNQFZ-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 VtQoBLX6xW
Name 3-Hexanol, 2,2-bis(phenylthio)-
CAS Registry Number 71221-34-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22OS2
InChI InChI=1S/C18H22OS2/c1-3-10-17(19)18(2,20-15-11-6-4-7-12-15)21-16-13-8-5-9-14-16/h4-9,11-14,17,19H,3,10H2,1-2H3
InChIKey UORNQDXTSBNQFZ-UHFFFAOYSA-N
Molecular Weight 318.493 g/mol
SMILES OC(C(Sc1ccccc1)(Sc1ccccc1)C)CCC
SPLASH splash10-08fr-0930000000-3de3f167ce0c2da04fe1
Source of Spectrum KC-1979-1082-0
Synonyms 2,2-bis(phenylsulfanyl)-3-hexanol 2,2-bis(phenylthio)hexan-3-ol
Wiley ID 1318481