| SpectraBase Compound ID | 4vL1i9S3WLP |
|---|---|
| InChI | InChI=1S/C8H7BrN2O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5H2,(H,10,12) |
| InChIKey | XSKCUIFGKBMFOW-UHFFFAOYSA-N |
| Mol Weight | 259.06 g/mol |
| Molecular Formula | C8H7BrN2O3 |
| Exact Mass | 257.964005 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2aQUK4bI3FP |
|---|---|
| Name | 2-Bromo-N-(4-nitro-phenyl)-acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.964005090 u |
| Formula | C8H7BrN2O3 |
| InChI | InChI=1S/C8H7BrN2O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5H2,(H,10,12) |
| InChIKey | XSKCUIFGKBMFOW-UHFFFAOYSA-N |
| Molecular Weight | 259.059 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(NC(=O)CBr)C=C1 |