![2-[p-Chlorophenyl]-6-methoxycinchoninic acid](/api/spectrum/CvgBqHUCcum/structure.png?h=300&w=458 "2-[p-Chlorophenyl]-6-methoxycinchoninic acid")
| SpectraBase Compound ID | D7vmjxt4Ogv |
|---|---|
| InChI | InChI=1S/C17H12ClNO3/c1-22-12-6-7-15-13(8-12)14(17(20)21)9-16(19-15)10-2-4-11(18)5-3-10/h2-9H,1H3,(H,20,21) |
| InChIKey | ZYGKAANTHMYWGD-UHFFFAOYSA-N |
| Mol Weight | 313.74 g/mol |
| Molecular Formula | C17H12ClNO3 |
| Exact Mass | 313.050571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CvgBqHUCcum |
|---|---|
| Name | 2-[p-Chlorophenyl]-6-methoxycinchoninic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.050570947 u |
| Formula | C17H12ClNO3 |
| InChI | InChI=1S/C17H12ClNO3/c1-22-12-6-7-15-13(8-12)14(17(20)21)9-16(19-15)10-2-4-11(18)5-3-10/h2-9H,1H3,(H,20,21) |
| InChIKey | ZYGKAANTHMYWGD-UHFFFAOYSA-N |
| Molecular Weight | 313.740 g/mol |
| SMILES | C1(=CC=C2C(=C1)C(=CC(=N2)C1=CC=C(C=C1)Cl)C(=O)O)OC |