![2-[5-(3-Methoxyphenyl)-1H-1,2,4-triazol-3-yl]pyrazine](/api/spectrum/4Zcv5UMwcTi/structure.png?h=300&w=458 "2-[5-(3-Methoxyphenyl)-1H-1,2,4-triazol-3-yl]pyrazine")
| SpectraBase Compound ID | 9vKKEr9nEyl |
|---|---|
| InChI | InChI=1S/C13H11N5O/c1-19-10-4-2-3-9(7-10)12-16-13(18-17-12)11-8-14-5-6-15-11/h2-8H,1H3,(H,16,17,18) |
| InChIKey | VBSNIWLAYCAIMY-UHFFFAOYSA-N |
| Mol Weight | 253.26 g/mol |
| Molecular Formula | C13H11N5O |
| Exact Mass | 253.09636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Zcv5UMwcTi |
|---|---|
| Name | 2-[5-(3-Methoxyphenyl)-1H-1,2,4-triazol-3-yl]pyrazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.096359993 u |
| Formula | C13H11N5O |
| InChI | InChI=1S/C13H11N5O/c1-19-10-4-2-3-9(7-10)12-16-13(18-17-12)11-8-14-5-6-15-11/h2-8H,1H3,(H,16,17,18) |
| InChIKey | VBSNIWLAYCAIMY-UHFFFAOYSA-N |
| Molecular Weight | 253.265 g/mol |
| SMILES | C1(=NNC(=N1)C1=CC(OC)=CC=C1)C1=CN=CC=N1 |