| SpectraBase Compound ID | JR3SnbGVm12 |
|---|---|
| InChI | InChI=1S/C9H9N3O/c1-7-2-4-8(5-3-7)12-9(13)10-6-11-12/h2-6H,1H3,(H,10,11,13) |
| InChIKey | SXFMDUOTGIZGCG-UHFFFAOYSA-N |
| Mol Weight | 175.19 g/mol |
| Molecular Formula | C9H9N3O |
| Exact Mass | 175.074562 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ZWyZI94Fkx |
|---|---|
| Name | 2-(p-Methylphenyl)-2,4-dihydro-1,2,4-triazol-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.074561921 u |
| Formula | C9H9N3O |
| InChI | InChI=1S/C9H9N3O/c1-7-2-4-8(5-3-7)12-9(13)10-6-11-12/h2-6H,1H3,(H,10,11,13) |
| InChIKey | SXFMDUOTGIZGCG-UHFFFAOYSA-N |
| Molecular Weight | 175.191 g/mol |
| SMILES | C1(N(N=CN1)C=1C=CC(=CC1)C)=O |