For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-BENZYLMERCAPTO-2-METHYL-4-PHENYL-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID DmSJ9siDWEF
InChI InChI=1S/C16H15N3S2/c1-18-16(20)19(14-10-6-3-7-11-14)15(17-18)21-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChIKey UADKKICOKIXZLX-UHFFFAOYSA-N
Mol Weight 313.44 g/mol
Molecular Formula C16H15N3S2
Exact Mass 313.07074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3GAI7AhPP5M
Name 5-BENZYLMERCAPTO-2-METHYL-4-PHENYL-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15N3S2
InChI InChI=1S/C16H15N3S2/c1-18-16(20)19(14-10-6-3-7-11-14)15(17-18)21-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChIKey UADKKICOKIXZLX-UHFFFAOYSA-N
Literature Reference Author S.ERNST,C.RICHTER,A.HOBERT,G.G.MARIAM,K.SCHULZE
Literature Reference Citation J.HETCYCL.CHEM.,32,275(1995)
Literature Reference DOI 10.1002/jhet.5570320147
Molecular Weight 313.435 g/mol
Solvent CDCl3
Source File Reference UWMZ3120