| SpectraBase Compound ID | 2I9fUOz97Gq |
|---|---|
| InChI | InChI=1S/C16H14N4O/c21-16(13-7-3-1-4-8-13)17-11-15-19-18-12-20(15)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,17,21) |
| InChIKey | BLNIIBUMWUPAQP-UHFFFAOYSA-N |
| Mol Weight | 278.31 g/mol |
| Molecular Formula | C16H14N4O |
| Exact Mass | 278.116761 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 89gcDuopw1S |
|---|---|
| Name | 4H-1,2,4-Triazole, 3-(benzoylamino)methyl-4-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.116761086 u |
| Formula | C16H14N4O |
| InChI | InChI=1S/C16H14N4O/c21-16(13-7-3-1-4-8-13)17-11-15-19-18-12-20(15)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,17,21) |
| InChIKey | BLNIIBUMWUPAQP-UHFFFAOYSA-N |
| SMILES | C1=CC=C(N2C(=NN=C2)CNC(C2=CC=CC=C2)=O)C=C1 |