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3-HYDROXY-4-METHYL-4-PHENYLSULFANYL-1-SULFANYLPENTANE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-HYDROXY-4-METHYL-4-PHENYLSULFANYL-1-SULFANYLPENTANE
SpectraBase Compound ID DboaxhLfU1x
InChI InChI=1S/C12H18OS2/c1-12(2,11(13)8-9-14)15-10-6-4-3-5-7-10/h3-7,11,13-14H,8-9H2,1-2H3
InChIKey KZMATPFAOLIKMY-UHFFFAOYSA-N
Mol Weight 242.39 g/mol
Molecular Formula C12H18OS2
Exact Mass 242.079908 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14aqc5QNiaT
Name 3-HYDROXY-4-METHYL-4-PHENYLSULFANYL-1-SULFANYLPENTANE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18OS2
InChI InChI=1S/C12H18OS2/c1-12(2,11(13)8-9-14)15-10-6-4-3-5-7-10/h3-7,11,13-14H,8-9H2,1-2H3
InChIKey KZMATPFAOLIKMY-UHFFFAOYSA-N
Literature Reference Author J.EAMES,S.WARREN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2783(1999)
Literature Reference DOI 10.1039/a905497e
Molecular Weight 242.394 g/mol
Solvent CDCl3
Source File Reference UWRU8908