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5-BENZYLMERCAPTO-2-METHYL-4-METHALLYL-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID 5t7QS8CkpHV
InChI InChI=1S/C14H17N3S2/c1-11(2)9-17-13(15-16(3)14(17)18)19-10-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3
InChIKey NGKCJFFGXJTTOZ-UHFFFAOYSA-N
Mol Weight 291.43 g/mol
Molecular Formula C14H17N3S2
Exact Mass 291.08639 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5caDq0CSErG
Name 5-BENZYLMERCAPTO-2-METHYL-4-METHALLYL-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17N3S2
InChI InChI=1S/C14H17N3S2/c1-11(2)9-17-13(15-16(3)14(17)18)19-10-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3
InChIKey NGKCJFFGXJTTOZ-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 291.429 g/mol
Solvent CDCl3
Source File Reference UWMZ3118