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3,5-Dimethyl-N-(phenylazo)pyrazole-1-carboxamide

View entire compound with spectra: 1 NMR, and 1 FTIR

3,5-Dimethyl-N-(phenylazo)pyrazole-1-carboxamide
SpectraBase Compound ID DYjf0SkJR9D
InChI InChI=1S/C18H17N5O/c1-13-17(21-20-16-11-7-4-8-12-16)14(2)23(22-13)18(24)19-15-9-5-3-6-10-15/h3-12H,1-2H3,(H,19,24)/b21-20+
InChIKey RKBOQQYIMXSCNV-QZQOTICOSA-N
Mol Weight 319.37 g/mol
Molecular Formula C18H17N5O
Exact Mass 319.14331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8hyGa8buQrd
Name 3,5-Dimethyl-N-(phenylazo)pyrazole-1-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 319.143310186 u
Formula C18H17N5O
InChI InChI=1S/C18H17N5O/c1-13-17(21-20-16-11-7-4-8-12-16)14(2)23(22-13)18(24)19-15-9-5-3-6-10-15/h3-12H,1-2H3,(H,19,24)/b21-20+
InChIKey RKBOQQYIMXSCNV-QZQOTICOSA-N
Molecular Weight 319.368 g/mol
SMILES N(C1=CC=CC=C1)C(N1C(=C(C(C)=N1)\N=N\C1=CC=CC=C1)C)=O