| SpectraBase Compound ID | Amd4uq7O8qx |
|---|---|
| InChI | InChI=1S/C11H9N3/c1-14-11(6-7-13-14)10-4-2-9(8-12)3-5-10/h2-7H,1H3 |
| InChIKey | RQIRLMQCLBBDMV-UHFFFAOYSA-N |
| Mol Weight | 183.21 g/mol |
| Molecular Formula | C11H9N3 |
| Exact Mass | 183.079647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9XEbkunyYnw |
|---|---|
| Name | 4-(1-Methyl-1H-pyrazol-5-yl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.079647302 u |
| Formula | C11H9N3 |
| InChI | InChI=1S/C11H9N3/c1-14-11(6-7-13-14)10-4-2-9(8-12)3-5-10/h2-7H,1H3 |
| InChIKey | RQIRLMQCLBBDMV-UHFFFAOYSA-N |
| Molecular Weight | 183.214 g/mol |
| SMILES | C1=C(C2=CC=C(C=C2)C#N)N(N=C1)C |