| SpectraBase Compound ID | Ffqvu5OnC9z |
|---|---|
| InChI | InChI=1S/C12H10N6O/c1-19-11-4-2-9(3-5-11)12-10(6-13)7-18(16-12)8-15-17-14/h2-5,7H,8H2,1H3 |
| InChIKey | MESPSBFWROTMRO-UHFFFAOYSA-N |
| Mol Weight | 254.25 g/mol |
| Molecular Formula | C12H10N6O |
| Exact Mass | 254.091609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4xfvj0lUeyN |
|---|---|
| Name | 1-(Azidomethyl)-4-cyano-3-(4-methoxyphenyl)pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.091608965 u |
| Formula | C12H10N6O |
| InChI | InChI=1S/C12H10N6O/c1-19-11-4-2-9(3-5-11)12-10(6-13)7-18(16-12)8-15-17-14/h2-5,7H,8H2,1H3 |
| InChIKey | MESPSBFWROTMRO-UHFFFAOYSA-N |
| Molecular Weight | 254.253 g/mol |
| SMILES | C=1(C(=NN(C1)CN=[N+]=[N-])C=1C=CC(=CC1)OC)C#N |