![6-[(4-Bromobenzoyl)amino]hexanoic acid](/api/spectrum/2AZ9LjFg4y8/structure.png?h=300&w=458 "6-[(4-Bromobenzoyl)amino]hexanoic acid")
| SpectraBase Compound ID | LVjtVDVWI9R |
|---|---|
| InChI | InChI=1S/C13H16BrNO3/c14-11-7-5-10(6-8-11)13(18)15-9-3-1-2-4-12(16)17/h5-8H,1-4,9H2,(H,15,18)(H,16,17) |
| InChIKey | BHPARCQOYICZJO-UHFFFAOYSA-N |
| Mol Weight | 314.18 g/mol |
| Molecular Formula | C13H16BrNO3 |
| Exact Mass | 313.031356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2AZ9LjFg4y8 |
|---|---|
| Name | 6-[(4-Bromobenzoyl)amino]hexanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.031356376 u |
| Formula | C13H16BrNO3 |
| InChI | InChI=1S/C13H16BrNO3/c14-11-7-5-10(6-8-11)13(18)15-9-3-1-2-4-12(16)17/h5-8H,1-4,9H2,(H,15,18)(H,16,17) |
| InChIKey | BHPARCQOYICZJO-UHFFFAOYSA-N |
| Molecular Weight | 314.179 g/mol |
| SMILES | C1(Br)=CC=C(C=C1)C(=O)NCCCCCC(=O)O |