| SpectraBase Compound ID | Hrv6ELEKXVM |
|---|---|
| InChI | InChI=1S/C8H13N3O/c1-5-7(3-4-8(9)12)6(2)11-10-5/h3-4H2,1-2H3,(H2,9,12)(H,10,11) |
| InChIKey | XXPSQJQWECDPJJ-UHFFFAOYSA-N |
| Mol Weight | 167.21 g/mol |
| Molecular Formula | C8H13N3O |
| Exact Mass | 167.105862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EqlyjBTV7e3 |
|---|---|
| Name | 3-(3,5-Dimethyl-1H-pyrazol-4-yl)propanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.105862050 u |
| Formula | C8H13N3O |
| InChI | InChI=1S/C8H13N3O/c1-5-7(3-4-8(9)12)6(2)11-10-5/h3-4H2,1-2H3,(H2,9,12)(H,10,11) |
| InChIKey | XXPSQJQWECDPJJ-UHFFFAOYSA-N |
| Molecular Weight | 167.212 g/mol |
| SMILES | CC1=C(C(C)=NN1)CCC(N)=O |