| SpectraBase Compound ID | LXl4m1U39aC |
|---|---|
| InChI | InChI=1S/C8H8N4O/c9-8-10-7(11-12-8)5-2-1-3-6(13)4-5/h1-4,13H,(H3,9,10,11,12) |
| InChIKey | FETXSZOIIOLCFI-UHFFFAOYSA-N |
| Mol Weight | 176.18 g/mol |
| Molecular Formula | C8H8N4O |
| Exact Mass | 176.069811 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GTrofDGSbGz |
|---|---|
| Name | 3-(5-Amino-2H-1,2,4-triazol-3-yl)phenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.069810893 u |
| Formula | C8H8N4O |
| InChI | InChI=1S/C8H8N4O/c9-8-10-7(11-12-8)5-2-1-3-6(13)4-5/h1-4,13H,(H3,9,10,11,12) |
| InChIKey | FETXSZOIIOLCFI-UHFFFAOYSA-N |
| Molecular Weight | 176.179 g/mol |
| SMILES | C=1(NN=C(N1)N)C1=CC(=CC=C1)O |