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1,1-Bis(p-tolylthio)octan-2-ol
SpectraBase Compound ID 9ySw7sie6Tp
InChI InChI=1S/C22H30OS2/c1-4-5-6-7-8-21(23)22(24-19-13-9-17(2)10-14-19)25-20-15-11-18(3)12-16-20/h9-16,21-23H,4-8H2,1-3H3
InChIKey UPPIZFCWJDONTE-UHFFFAOYSA-N
Mol Weight 374.6 g/mol
Molecular Formula C22H30OS2
Exact Mass 374.173808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BLE28JqBGz
Name 1,1-Bis(p-tolylthio)octan-2-ol
Alternate Name(s) 1,1-bis(p-tolylsulfanyl)octan-2-ol 1,1-bis[(4-methylphenyl)sulfanyl]octan-2-ol 1,1-bis[(4-methylphenyl)thio]-2-octanol
CAS Registry Number 91191-96-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30OS2
InChI InChI=1S/C22H30OS2/c1-4-5-6-7-8-21(23)22(24-19-13-9-17(2)10-14-19)25-20-15-11-18(3)12-16-20/h9-16,21-23H,4-8H2,1-3H3
InChIKey UPPIZFCWJDONTE-UHFFFAOYSA-N
Molecular Weight 374.601 g/mol
SMILES OC(C(Sc1ccc(cc1)C)Sc1ccc(cc1)C)CCCCCC
SPLASH splash10-0f79-1950000000-abb4c160b76ae595e226
Source of Spectrum J-49-3789-0
Wiley ID 1356729