![2-Chloro-6-[p-(1-methylpyrazol-5-yl)phenoxy]benzonitrile](/api/spectrum/8W9GsVRwhYR/structure.png?h=300&w=458 "2-Chloro-6-[p-(1-methylpyrazol-5-yl)phenoxy]benzonitrile")
| SpectraBase Compound ID | KlhUtIalGwv |
|---|---|
| InChI | InChI=1S/C17H12ClN3O/c1-21-16(9-10-20-21)12-5-7-13(8-6-12)22-17-4-2-3-15(18)14(17)11-19/h2-10H,1H3 |
| InChIKey | RXXSZJFXWNLGOG-UHFFFAOYSA-N |
| Mol Weight | 309.76 g/mol |
| Molecular Formula | C17H12ClN3O |
| Exact Mass | 309.06689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8W9GsVRwhYR |
|---|---|
| Name | 2-Chloro-6-[p-(1-methylpyrazol-5-yl)phenoxy]benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.066889717 u |
| Formula | C17H12ClN3O |
| InChI | InChI=1S/C17H12ClN3O/c1-21-16(9-10-20-21)12-5-7-13(8-6-12)22-17-4-2-3-15(18)14(17)11-19/h2-10H,1H3 |
| InChIKey | RXXSZJFXWNLGOG-UHFFFAOYSA-N |
| Molecular Weight | 309.756 g/mol |
| SMILES | C=1C(=C(C(=CC1)OC=1C=CC(=CC1)C1=CC=NN1C)C#N)Cl |