![2-[5-(3-Methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetonitrile](/api/spectrum/HvbaaaHCg1R/structure.png?h=300&w=458 "2-[5-(3-Methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetonitrile")
| SpectraBase Compound ID | 8GjMPbkeKXJ |
|---|---|
| InChI | InChI=1S/C11H10N4O/c1-16-9-4-2-3-8(7-9)11-13-10(5-6-12)14-15-11/h2-4,7H,5H2,1H3,(H,13,14,15) |
| InChIKey | HYKHMFQZRUDMIZ-UHFFFAOYSA-N |
| Mol Weight | 214.23 g/mol |
| Molecular Formula | C11H10N4O |
| Exact Mass | 214.085461 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HvbaaaHCg1R |
|---|---|
| Name | 2-[5-(3-Methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.085460957 u |
| Formula | C11H10N4O |
| InChI | InChI=1S/C11H10N4O/c1-16-9-4-2-3-8(7-9)11-13-10(5-6-12)14-15-11/h2-4,7H,5H2,1H3,(H,13,14,15) |
| InChIKey | HYKHMFQZRUDMIZ-UHFFFAOYSA-N |
| Molecular Weight | 214.228 g/mol |
| SMILES | C(CC=1N=C(NN1)C=1C=C(OC)C=CC1)#N |