| SpectraBase Compound ID | GrdJnnkLMIS |
|---|---|
| InChI | InChI=1S/C9H17N5O/c1-2-3-6-11-8(15)5-4-7-12-9(10)14-13-7/h2-6H2,1H3,(H,11,15)(H3,10,12,13,14) |
| InChIKey | IKZDFPPVUQHIKT-UHFFFAOYSA-N |
| Mol Weight | 211.27 g/mol |
| Molecular Formula | C9H17N5O |
| Exact Mass | 211.14331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6wSMNOWNwfd |
|---|---|
| Name | 3-(5-Amino-1H-1,2,4-triazol-3-yl)-N-butylpropanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.143310186 u |
| Formula | C9H17N5O |
| InChI | InChI=1S/C9H17N5O/c1-2-3-6-11-8(15)5-4-7-12-9(10)14-13-7/h2-6H2,1H3,(H,11,15)(H3,10,12,13,14) |
| InChIKey | IKZDFPPVUQHIKT-UHFFFAOYSA-N |
| Molecular Weight | 211.269 g/mol |
| SMILES | CCCCNC(CCC=1N=C(NN1)N)=O |