| SpectraBase Compound ID | 7fcFJGOCFGY |
|---|---|
| InChI | InChI=1S/C14H13ClN2O4/c1-14(2,3)13(18)21-12-10(17(19)20)7-9(15)8-5-4-6-16-11(8)12/h4-7H,1-3H3 |
| InChIKey | IECIPZIFTKVAFX-UHFFFAOYSA-N |
| Mol Weight | 308.72 g/mol |
| Molecular Formula | C14H13ClN2O4 |
| Exact Mass | 308.056385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Uc9gvNdwSp |
|---|---|
| Name | 5-Chloro-7-nitro-8-hydroxyquinoline, trimethylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.056384603 u |
| Formula | C14H13ClN2O4 |
| InChI | InChI=1S/C14H13ClN2O4/c1-14(2,3)13(18)21-12-10(17(19)20)7-9(15)8-5-4-6-16-11(8)12/h4-7H,1-3H3 |
| InChIKey | IECIPZIFTKVAFX-UHFFFAOYSA-N |
| Molecular Weight | 308.721 g/mol |
| SMILES | C1(Cl)=C2C(N=CC=C2)=C(C(=C1)N(=O)=O)OC(C(C)(C)C)=O |