| SpectraBase Compound ID | 5nBx5LHf2vg |
|---|---|
| InChI | InChI=1S/C17H15Br2NO4/c1-24-17(23)14(20-16(22)11-5-3-2-4-6-11)9-10-7-12(18)15(21)13(19)8-10/h2-8,14,21H,9H2,1H3,(H,20,22) |
| InChIKey | OESIPAVCFZKASQ-UHFFFAOYSA-N |
| Mol Weight | 457.12 g/mol |
| Molecular Formula | C17H15Br2NO4 |
| Exact Mass | 454.936784 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 | LOcXoGPWjoQ |
|---|---|
| Name | N-Benzoyl-3,5-dibromotyrosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.936783963 u |
| Formula | C17H15Br2NO4 |
| InChI | InChI=1S/C17H15Br2NO4/c1-24-17(23)14(20-16(22)11-5-3-2-4-6-11)9-10-7-12(18)15(21)13(19)8-10/h2-8,14,21H,9H2,1H3,(H,20,22) |
| InChIKey | OESIPAVCFZKASQ-UHFFFAOYSA-N |
| Molecular Weight | 457.118 g/mol |
| SMILES | C1=C(C=C(C(=C1Br)O)Br)CC(NC(C1=CC=CC=C1)=O)C(OC)=O |