![4-[(4H-1,2,4-triazol-4-ylimino)methyl]phenol](/api/spectrum/HMRzvtg1TwG/structure.png?h=300&w=458 "4-[(4H-1,2,4-triazol-4-ylimino)methyl]phenol")
| SpectraBase Compound ID | GbUKsbiz2bf |
|---|---|
| InChI | InChI=1S/C9H8N4O/c14-9-3-1-8(2-4-9)5-12-13-6-10-11-7-13/h1-7,14H/b12-5+ |
| InChIKey | NOVRDRZKUXJKNR-LFYBBSHMSA-N |
| Mol Weight | 188.19 g/mol |
| Molecular Formula | C9H8N4O |
| Exact Mass | 188.069811 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HMRzvtg1TwG |
|---|---|
| Name | 4-[(4H-1,2,4-Triazol-4-ylimino)methyl]phenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.069810893 u |
| Formula | C9H8N4O |
| InChI | InChI=1S/C9H8N4O/c14-9-3-1-8(2-4-9)5-12-13-6-10-11-7-13/h1-7,14H/b12-5+ |
| InChIKey | NOVRDRZKUXJKNR-LFYBBSHMSA-N |
| Molecular Weight | 188.190 g/mol |
| SMILES | C=1C=C(\C=N\N2C=NN=C2)C=CC1O |