| SpectraBase Compound ID | DPh4HmuCeGS |
|---|---|
| InChI | InChI=1S/C16H14BrNO4/c1-2-22-12-5-3-4-10(8-12)15(19)18-14-7-6-11(17)9-13(14)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21) |
| InChIKey | KSIXRVNXJULFCW-UHFFFAOYSA-N |
| Mol Weight | 364.2 g/mol |
| Molecular Formula | C16H14BrNO4 |
| Exact Mass | 363.010621 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BztRgabW5BT |
|---|---|
| Name | 5-Bromo-2-(3-ethoxy-benzoylamino)-benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.010620931 u |
| Formula | C16H14BrNO4 |
| InChI | InChI=1S/C16H14BrNO4/c1-2-22-12-5-3-4-10(8-12)15(19)18-14-7-6-11(17)9-13(14)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21) |
| InChIKey | KSIXRVNXJULFCW-UHFFFAOYSA-N |
| Molecular Weight | 364.195 g/mol |
| SMILES | C1(=C(NC(C2=CC(OCC)=CC=C2)=O)C=CC(=C1)Br)C(=O)O |