| SpectraBase Compound ID | Il0AJ67vWK2 |
|---|---|
| InChI | InChI=1S/C16H15N5O2/c22-21(23)15-8-6-14(7-9-15)20-16(18-12-19-20)11-17-10-13-4-2-1-3-5-13/h1-9,12,17H,10-11H2 |
| InChIKey | YYOCDFIBBPPSKS-UHFFFAOYSA-N |
| Mol Weight | 309.33 g/mol |
| Molecular Formula | C16H15N5O2 |
| Exact Mass | 309.122575 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 79qZtMBSueW |
|---|---|
| Name | 2-(4-Nitrophenyl)-3(benzylaminomethyl)-1.2.4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.122574741 u |
| Formula | C16H15N5O2 |
| InChI | InChI=1S/C16H15N5O2/c22-21(23)15-8-6-14(7-9-15)20-16(18-12-19-20)11-17-10-13-4-2-1-3-5-13/h1-9,12,17H,10-11H2 |
| InChIKey | YYOCDFIBBPPSKS-UHFFFAOYSA-N |
| Molecular Weight | 309.329 g/mol |
| SMILES | C1(=CC=CC=C1)CNCC=1N(C2=CC=C(N(=O)=O)C=C2)N=CN1 |