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cis-7-Benzoyl-6,7-dihydro-1-methyl-3-methylthio-6-phenyl-5H-1,2,4-triazolo(3,4-B)(1,3,4)thiadiazinium cation
SpectraBase Compound ID 31hCDV6B3Jp
InChI InChI=1S/C19H19N4OS2/c1-22-19-23(18(21-22)25-2)20-15(13-9-5-3-6-10-13)17(26-19)16(24)14-11-7-4-8-12-14/h3-12,15,17,20H,1-2H3/q+1
InChIKey ULHWHTZSCKWYKY-UHFFFAOYSA-N
Mol Weight 383.51 g/mol
Molecular Formula C19H19N4OS2
Exact Mass 383.100029 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JT6zYEEmVaz
Name cis-7-Benzoyl-6,7-dihydro-1-methyl-3-methylthio-6-phenyl-5H-1,2,4-triazolo(3,4-B)(1,3,4)thiadiazinium cation
Comments bromide
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Formula C19H19N4OS2
InChI InChI=1S/C19H19N4OS2/c1-22-19-23(18(21-22)25-2)20-15(13-9-5-3-6-10-13)17(26-19)16(24)14-11-7-4-8-12-14/h3-12,15,17,20H,1-2H3/q+1
InChIKey ULHWHTZSCKWYKY-UHFFFAOYSA-N
Instrument Name Varian XL-300
Literature Reference P. Molina, M. Alajarin, M.J. De Vega, J. Chem. Soc. Perkin I 1853 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3