| SpectraBase Compound ID | 6KlxndCsqdn |
|---|---|
| InChI | InChI=1S/C13H11ClN2O4/c1-7(2)13(17)20-12-10(16(18)19)6-9(14)8-4-3-5-15-11(8)12/h3-7H,1-2H3 |
| InChIKey | PMRITRPEDMVZPR-UHFFFAOYSA-N |
| Mol Weight | 294.69 g/mol |
| Molecular Formula | C13H11ClN2O4 |
| Exact Mass | 294.040735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I73ndY3YooE |
|---|---|
| Name | 5-Chloro-7-nitro-8-hydroxyquinoline, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.040734538 u |
| Formula | C13H11ClN2O4 |
| InChI | InChI=1S/C13H11ClN2O4/c1-7(2)13(17)20-12-10(16(18)19)6-9(14)8-4-3-5-15-11(8)12/h3-7H,1-2H3 |
| InChIKey | PMRITRPEDMVZPR-UHFFFAOYSA-N |
| Molecular Weight | 294.694 g/mol |
| SMILES | C1(Cl)=C2C(N=CC=C2)=C(C(=C1)N(=O)=O)OC(C(C)C)=O |