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1-(benzylsulfinyl)-4-(benzylthio)butane

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1-(benzylsulfinyl)-4-(benzylthio)butane
SpectraBase Compound ID 6UCSboSfQvE
InChI InChI=1S/C18H22OS2/c19-21(16-18-11-5-2-6-12-18)14-8-7-13-20-15-17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16H2
InChIKey LFQXJXHKMUYRCX-UHFFFAOYSA-N
Mol Weight 318.49 g/mol
Molecular Formula C18H22OS2
Exact Mass 318.111208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GPnQZ9FUpk
Name 1-(BENZYLSULFINYL)-4-(BENZYLTHIO)BUTANE
Source of Sample F. Gasparrini, Institute of Organic Chemistry, Rome, Italy
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22OS2
InChI InChI=1S/C18H22OS2/c19-21(16-18-11-5-2-6-12-18)14-8-7-13-20-15-17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16H2
InChIKey LFQXJXHKMUYRCX-UHFFFAOYSA-N
Melting Point 73-74C
Molecular Weight 318.50
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20