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3-Benzamido-5-phenyl-1,2,3-triazole-4-carboxylic acid

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

3-Benzamido-5-phenyl-1,2,3-triazole-4-carboxylic acid
SpectraBase Compound ID 3LAUBL6wWiB
InChI InChI=1S/C16H12N4O3/c21-15(12-9-5-2-6-10-12)18-20-14(16(22)23)13(17-19-20)11-7-3-1-4-8-11/h1-10H,(H,18,21)(H,22,23)
InChIKey DCJMROWLYKOZTG-UHFFFAOYSA-N
Mol Weight 308.3 g/mol
Molecular Formula C16H12N4O3
Exact Mass 308.09094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHMh73kgSjz
Name 3-Benzamido-5-phenyl-1,2,3-triazole-4-carboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 308.090940259 u
Formula C16H12N4O3
InChI InChI=1S/C16H12N4O3/c21-15(12-9-5-2-6-10-12)18-20-14(16(22)23)13(17-19-20)11-7-3-1-4-8-11/h1-10H,(H,18,21)(H,22,23)
InChIKey DCJMROWLYKOZTG-UHFFFAOYSA-N
Molecular Weight 308.297 g/mol
SMILES C=1(N(N=NC1C=1C=CC=CC1)NC(=O)C1=CC=CC=C1)C(=O)O