| SpectraBase Compound ID | NLgKc8ILAR |
|---|---|
| InChI | InChI=1S/C11H10N4/c1-8-3-2-4-10(5-8)15-11(13)9(6-12)7-14-15/h2-5,7H,13H2,1H3 |
| InChIKey | VLJAYJZISRDURH-UHFFFAOYSA-N |
| Mol Weight | 198.23 g/mol |
| Molecular Formula | C11H10N4 |
| Exact Mass | 198.090546 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EVugOcHa6v6 |
|---|---|
| Name | 5-Amino-1-(3-methylphenyl)-1H-pyrazole-4-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.090546338 u |
| Formula | C11H10N4 |
| InChI | InChI=1S/C11H10N4/c1-8-3-2-4-10(5-8)15-11(13)9(6-12)7-14-15/h2-5,7H,13H2,1H3 |
| InChIKey | VLJAYJZISRDURH-UHFFFAOYSA-N |
| Molecular Weight | 198.229 g/mol |
| SMILES | NC=1N(N=CC1C#N)C=1C=C(C)C=CC1 |