| SpectraBase Compound ID | 2QhV7qQTaJT |
|---|---|
| InChI | InChI=1S/C10H10BrNO4/c11-7-1-3-8(4-2-7)12(5-9(13)14)6-10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16) |
| InChIKey | OYFFIIKGANROHS-UHFFFAOYSA-N |
| Mol Weight | 288.1 g/mol |
| Molecular Formula | C10H10BrNO4 |
| Exact Mass | 286.979321 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4JBjluAuRrS |
|---|---|
| Name | 2,2'-(4-Bromophenylazanediyl)diacetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.979320802 u |
| Formula | C10H10BrNO4 |
| InChI | InChI=1S/C10H10BrNO4/c11-7-1-3-8(4-2-7)12(5-9(13)14)6-10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16) |
| InChIKey | OYFFIIKGANROHS-UHFFFAOYSA-N |
| Molecular Weight | 288.097 g/mol |
| SMILES | C1=C(C=CC(=C1)N(CC(O)=O)CC(O)=O)Br |