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4-Benzoyl-1-methyl-5-tosylamino-1H-1,2,3-triazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Benzoyl-1-methyl-5-tosylamino-1H-1,2,3-triazole
SpectraBase Compound ID AgZXDMStYic
InChI InChI=1S/C17H16N4O3S/c1-12-8-10-14(11-9-12)25(23,24)19-17-15(18-20-21(17)2)16(22)13-6-4-3-5-7-13/h3-11,19H,1-2H3
InChIKey IASBHHVINKZBCF-UHFFFAOYSA-N
Mol Weight 356.4 g/mol
Molecular Formula C17H16N4O3S
Exact Mass 356.094312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AjnvtV94FAQ
Name 4-Benzoyl-1-methyl-5-tosylamino-1H-1,2,3-triazole
Comments Computed using HOSE algorithm
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Exact Mass 356.094311562 u
Formula C17H16N4O3S
InChI InChI=1S/C17H16N4O3S/c1-12-8-10-14(11-9-12)25(23,24)19-17-15(18-20-21(17)2)16(22)13-6-4-3-5-7-13/h3-11,19H,1-2H3
InChIKey IASBHHVINKZBCF-UHFFFAOYSA-N
Molecular Weight 356.400 g/mol
SMILES C=1(N=NN(C1NS(=O)(=O)C=1C=CC(C)=CC1)C)C(C=1C=CC=CC1)=O