| SpectraBase Compound ID | DZtw7AM2GNr |
|---|---|
| InChI | InChI=1S/C12H12N6/c1-9-7-11(10-5-3-2-4-6-10)16-18(9)12-15-14-8-17(12)13/h2-8H,13H2,1H3 |
| InChIKey | NMJJLWQCYOHXBP-UHFFFAOYSA-N |
| Mol Weight | 240.27 g/mol |
| Molecular Formula | C12H12N6 |
| Exact Mass | 240.112344 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 | KbkbhZ4QI9v |
|---|---|
| Name | 1,2,4-Triazol-4-amine, 3-(5-methyl-3-phenyl-1-pyrazolyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.112344410 u |
| Formula | C12H12N6 |
| InChI | InChI=1S/C12H12N6/c1-9-7-11(10-5-3-2-4-6-10)16-18(9)12-15-14-8-17(12)13/h2-8H,13H2,1H3 |
| InChIKey | NMJJLWQCYOHXBP-UHFFFAOYSA-N |
| Molecular Weight | 240.270 g/mol |
| SMILES | C=1(N2C(=CC(=N2)C2=CC=CC=C2)C)N(C=NN1)N |