![3-[5-(4-Methoxyphenyl)-1H-1,2,4-triazol-3-yl]aniline](/api/spectrum/4KK0u68iNFZ/structure.png?h=300&w=458 "3-[5-(4-Methoxyphenyl)-1H-1,2,4-triazol-3-yl]aniline")
| SpectraBase Compound ID | A6EgfwAQbSm |
|---|---|
| InChI | InChI=1S/C15H14N4O/c1-20-13-7-5-10(6-8-13)14-17-15(19-18-14)11-3-2-4-12(16)9-11/h2-9H,16H2,1H3,(H,17,18,19) |
| InChIKey | CKKYTRZCCSPLSN-UHFFFAOYSA-N |
| Mol Weight | 266.3 g/mol |
| Molecular Formula | C15H14N4O |
| Exact Mass | 266.116761 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4KK0u68iNFZ |
|---|---|
| Name | 3-[5-(4-Methoxyphenyl)-1H-1,2,4-triazol-3-yl]aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.116761086 u |
| Formula | C15H14N4O |
| InChI | InChI=1S/C15H14N4O/c1-20-13-7-5-10(6-8-13)14-17-15(19-18-14)11-3-2-4-12(16)9-11/h2-9H,16H2,1H3,(H,17,18,19) |
| InChIKey | CKKYTRZCCSPLSN-UHFFFAOYSA-N |
| SMILES | C1=CC(N)=CC(=C1)C1=NNC(=N1)C=1C=CC(OC)=CC1 |