| SpectraBase Compound ID | 5ItdZWr7cOK |
|---|---|
| InChI | InChI=1S/C9H9N3O/c1-6-2-4-7(5-3-6)8-9(10)12-13-11-8/h2-5H,1H3,(H2,10,12) |
| InChIKey | VBTZFADUAHZZJW-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 | Gg0JDzAVOPw |
|---|---|
| Name | 1,2,5-Oxadiazol-3-amine, 4-(4-methylphenyl)- |
| 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/c1-6-2-4-7(5-3-6)8-9(10)12-13-11-8/h2-5H,1H3,(H2,10,12) |
| InChIKey | VBTZFADUAHZZJW-UHFFFAOYSA-N |
| Molecular Weight | 175.191 g/mol |
| SMILES | C=1(C(=NON1)N)C=1C=CC(C)=CC1 |