| SpectraBase Compound ID | Hifc9VfAbp3 |
|---|---|
| InChI | InChI=1S/C19H26N2O2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)15-21-14-13-18(20-21)19(22)23/h9-14H,2-8,15H2,1H3,(H,22,23) |
| InChIKey | STDHSNLZXGZZQO-UHFFFAOYSA-N |
| Mol Weight | 314.43 g/mol |
| Molecular Formula | C19H26N2O2 |
| Exact Mass | 314.199428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5wlMTcBTCE5 |
|---|---|
| Name | 1-(4-Octylbenzyl)pyrazole-3-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.199428083 u |
| Formula | C19H26N2O2 |
| InChI | InChI=1S/C19H26N2O2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)15-21-14-13-18(20-21)19(22)23/h9-14H,2-8,15H2,1H3,(H,22,23) |
| InChIKey | STDHSNLZXGZZQO-UHFFFAOYSA-N |
| Molecular Weight | 314.429 g/mol |
| SMILES | C1(=NN(C=C1)CC=1C=CC(=CC1)CCCCCCCC)C(=O)O |