| SpectraBase Compound ID | jmdI0lNi3D |
|---|---|
| InChI | InChI=1S/C13H12BrNO2/c1-3-17-13(16)11-6-8(2)15-12-5-4-9(14)7-10(11)12/h4-7H,3H2,1-2H3 |
| InChIKey | KOVIYCANWGLBHA-UHFFFAOYSA-N |
| Mol Weight | 294.15 g/mol |
| Molecular Formula | C13H12BrNO2 |
| Exact Mass | 293.005142 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 | IZDBAAf0Wy2 |
|---|---|
| Name | 6-Bromo-2-methylcinchoninic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.005141628 u |
| Formula | C13H12BrNO2 |
| InChI | InChI=1S/C13H12BrNO2/c1-3-17-13(16)11-6-8(2)15-12-5-4-9(14)7-10(11)12/h4-7H,3H2,1-2H3 |
| InChIKey | KOVIYCANWGLBHA-UHFFFAOYSA-N |
| SMILES | C=12C=C(C=CC1N=C(C=C2C(OCC)=O)C)Br |