![(([(4-Bromobenzoyl)amino]acetyl)amino)acetic acid](/api/spectrum/33hn7rmF5G5/structure.png?h=300&w=458 "(([(4-Bromobenzoyl)amino]acetyl)amino)acetic acid")
| SpectraBase Compound ID | 79Xd2hYcjiy |
|---|---|
| InChI | InChI=1S/C11H11BrN2O4/c12-8-3-1-7(2-4-8)11(18)14-5-9(15)13-6-10(16)17/h1-4H,5-6H2,(H,13,15)(H,14,18)(H,16,17) |
| InChIKey | AJVUOQVEWCJCLV-UHFFFAOYSA-N |
| Mol Weight | 315.12 g/mol |
| Molecular Formula | C11H11BrN2O4 |
| Exact Mass | 313.99022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 33hn7rmF5G5 |
|---|---|
| Name | [2-(4-Bromo-benzoylamino)-acetylamino]-acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.990219838 u |
| Formula | C11H11BrN2O4 |
| InChI | InChI=1S/C11H11BrN2O4/c12-8-3-1-7(2-4-8)11(18)14-5-9(15)13-6-10(16)17/h1-4H,5-6H2,(H,13,15)(H,14,18)(H,16,17) |
| InChIKey | AJVUOQVEWCJCLV-UHFFFAOYSA-N |
| Molecular Weight | 315.123 g/mol |
| SMILES | C(NCC(NCC(=O)O)=O)(C=1C=CC(=CC1)Br)=O |