| SpectraBase Compound ID | D994KD49165 |
|---|---|
| InChI | InChI=1S/C13H15N3O2/c1-9(2)13-8-10(3)14-15(13)11-4-6-12(7-5-11)16(17)18/h4-9H,1-3H3 |
| InChIKey | JXGPYJRHWFRWSI-UHFFFAOYSA-N |
| Mol Weight | 245.28 g/mol |
| Molecular Formula | C13H15N3O2 |
| Exact Mass | 245.116427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1KsxFTjYqnz |
|---|---|
| Name | 3-Methyl-1-(4-nitrophenyl)-5-propan-2-yl-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.116426733 u |
| Formula | C13H15N3O2 |
| InChI | InChI=1S/C13H15N3O2/c1-9(2)13-8-10(3)14-15(13)11-4-6-12(7-5-11)16(17)18/h4-9H,1-3H3 |
| InChIKey | JXGPYJRHWFRWSI-UHFFFAOYSA-N |
| Molecular Weight | 245.282 g/mol |
| SMILES | C=1(N(N=C(C1)C)C=1C=CC(N(=O)=O)=CC1)C(C)C |