| SpectraBase Compound ID | DBQ3oeJphDq |
|---|---|
| InChI | InChI=1S/C16H8Br2ClNO2/c17-12-8-13(18)15(14-11(12)5-2-6-20-14)22-16(21)9-3-1-4-10(19)7-9/h1-8H |
| InChIKey | BOBBVNCQDXQGTA-UHFFFAOYSA-N |
| Mol Weight | 441.51 g/mol |
| Molecular Formula | C16H8Br2ClNO2 |
| Exact Mass | 438.861032 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4xHM6Heg0xS |
|---|---|
| Name | 3-Chloro-benzoic acid 5,7-dibromo-quinolin-8-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.861032200 u |
| Formula | C16H8Br2ClNO2 |
| InChI | InChI=1S/C16H8Br2ClNO2/c17-12-8-13(18)15(14-11(12)5-2-6-20-14)22-16(21)9-3-1-4-10(19)7-9/h1-8H |
| InChIKey | BOBBVNCQDXQGTA-UHFFFAOYSA-N |
| Molecular Weight | 441.506 g/mol |
| SMILES | C1(=C2C(C=CC=N2)=C(C=C1Br)Br)OC(C1=CC(Cl)=CC=C1)=O |