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3-Methyl-5-(methoxycarbonyl-methylthio)-N-benzyl-S-triazolo(4,3-B)pyridazine cation
SpectraBase Compound ID 8SZGN1kWFFF
InChI InChI=1S/C16H17N4O2S/c1-12-8-14(23-10-15(21)22-2)16-19(17-11-20(16)18-12)9-13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3/q+1
InChIKey SRSIUDKHVUYKCK-UHFFFAOYSA-N
Mol Weight 329.4 g/mol
Molecular Formula C16H17N4O2S
Exact Mass 329.107222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3RDlrMRmDZy
Name 3-Methyl-5-(methoxycarbonyl-methylthio)-N-benzyl-S-triazolo(4,3-B)pyridazine cation
Comments bromide
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Formula C16H17N4O2S
InChI InChI=1S/C16H17N4O2S/c1-12-8-14(23-10-15(21)22-2)16-19(17-11-20(16)18-12)9-13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3/q+1
InChIKey SRSIUDKHVUYKCK-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference H.J. Timpe, H.G. Becker, R. Radeglia, J. Prakt. Chem. 319, 945 (1977).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent H2O