| SpectraBase Compound ID | 6vp40WmCsR0 |
|---|---|
| InChI | InChI=1S/C11H12BrNO3/c1-7(11(15)16-2)13-10(14)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,14) |
| InChIKey | SMEWLRMRAWWXPJ-UHFFFAOYSA-N |
| Mol Weight | 286.12 g/mol |
| Molecular Formula | C11H12BrNO3 |
| Exact Mass | 285.000056 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 | 8EludaE6wMf |
|---|---|
| Name | L-Alanine, N-(4-bromobenzoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.000056247 u |
| Formula | C11H12BrNO3 |
| InChI | InChI=1S/C11H12BrNO3/c1-7(11(15)16-2)13-10(14)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,14) |
| InChIKey | SMEWLRMRAWWXPJ-UHFFFAOYSA-N |
| SMILES | C(C)(NC(=O)C1=CC=C(C=C1)Br)C(OC)=O |