| SpectraBase Compound ID | JgRQ1jVssoh |
|---|---|
| InChI | InChI=1S/C13H12ClNO2/c1-8(2)13(16)17-11-6-5-10(14)9-4-3-7-15-12(9)11/h3-8H,1-2H3 |
| InChIKey | PCEXMACMKVSGFE-UHFFFAOYSA-N |
| Mol Weight | 249.7 g/mol |
| Molecular Formula | C13H12ClNO2 |
| Exact Mass | 249.055656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3syNeNv92WM |
|---|---|
| Name | 5-Chloro-8-hydroxyquinoline, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.055656328 u |
| Formula | C13H12ClNO2 |
| InChI | InChI=1S/C13H12ClNO2/c1-8(2)13(16)17-11-6-5-10(14)9-4-3-7-15-12(9)11/h3-8H,1-2H3 |
| InChIKey | PCEXMACMKVSGFE-UHFFFAOYSA-N |
| Molecular Weight | 249.697 g/mol |
| SMILES | C1(Cl)=C2C(N=CC=C2)=C(C=C1)OC(C(C)C)=O |