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3,3-bis(Phenylthio)-hexan-2-ol
SpectraBase Compound ID IRWm5oYWgiG
InChI InChI=1S/C18H22OS2/c1-3-14-18(15(2)19,20-16-10-6-4-7-11-16)21-17-12-8-5-9-13-17/h4-13,15,19H,3,14H2,1-2H3
InChIKey VOYYLBZBOBUTBR-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 F1aLjwXURKn
Name 3,3-bis(Phenylthio)-hexan-2-ol
Comments Edited after expert review for air contamination - Original record with SpectrumID 833978 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22OS2
InChI InChI=1S/C18H22OS2/c1-3-14-18(15(2)19,20-16-10-6-4-7-11-16)21-17-12-8-5-9-13-17/h4-13,15,19H,3,14H2,1-2H3
InChIKey VOYYLBZBOBUTBR-UHFFFAOYSA-N
Molecular Weight 318.493 g/mol
SMILES OC(C(Sc1ccccc1)(Sc1ccccc1)CCC)C
SPLASH splash10-052f-9060000000-7966fd77c0374a9370d4
Source of Spectrum QF-48-1377-4
Synonyms 3,3-bis(phenylthio)-2-hexanol 3,3-bis(phenylsulfanyl)hexan-2-ol
Wiley ID 1820943