| SpectraBase Compound ID | 4ME1K4WIGpT |
|---|---|
| InChI | InChI=1S/C15H18N2O3/c1-10(5-6-14(18)19)17-13-9-12(20-2)8-11-4-3-7-16-15(11)13/h3-4,7-10,17H,5-6H2,1-2H3,(H,18,19) |
| InChIKey | KIMKJIXTIWKABF-UHFFFAOYSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C15H18N2O3 |
| Exact Mass | 274.131742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5TJYKsqRZH8 |
|---|---|
| Name | Carboxyprimaquine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.131742445 u |
| Formula | C15H18N2O3 |
| InChI | InChI=1S/C15H18N2O3/c1-10(5-6-14(18)19)17-13-9-12(20-2)8-11-4-3-7-16-15(11)13/h3-4,7-10,17H,5-6H2,1-2H3,(H,18,19) |
| InChIKey | KIMKJIXTIWKABF-UHFFFAOYSA-N |
| SMILES | C1=2C(=CC(=CC2NC(C)CCC(O)=O)OC)C=CC=N1 |