| SpectraBase Compound ID | CPdo6WGsUFW |
|---|---|
| InChI | InChI=1S/C12H16N6O/c1-12(2,3)15-18(19)11-10(13)17(16-14-11)9-7-5-4-6-8-9/h4-8H,13H2,1-3H3/b18-15- |
| InChIKey | MBVHNUPXOQBTNQ-SDXDJHTJSA-N |
| Mol Weight | 260.3 g/mol |
| Molecular Formula | C12H16N6O |
| Exact Mass | 260.138559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1td8K2DSKTB |
|---|---|
| Name | 5-Amino-N-(tert-butylimino)-1-phenyl-1,2,3-triazol-4-imine oxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.138559158 u |
| Formula | C12H16N6O |
| InChI | InChI=1S/C12H16N6O/c1-12(2,3)15-18(19)11-10(13)17(16-14-11)9-7-5-4-6-8-9/h4-8H,13H2,1-3H3/b18-15- |
| InChIKey | MBVHNUPXOQBTNQ-SDXDJHTJSA-N |
| SMILES | CC(C)(C)N=N(C=1N=NN(C1N)C1=CC=CC=C1)=O |