| SpectraBase Compound ID | 9hvwYnsRSc1 |
|---|---|
| InChI | InChI=1S/C8H7BrN2O3/c1-5(12)10-7-4-6(9)2-3-8(7)11(13)14/h2-4H,1H3,(H,10,12) |
| InChIKey | OZYXAZLLOVTHKF-UHFFFAOYSA-N |
| Mol Weight | 259.06 g/mol |
| Molecular Formula | C8H7BrN2O3 |
| Exact Mass | 257.964005 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Lkw27gi4I7S |
|---|---|
| Name | N-(5-Bromo-2-nitrophenyl)acetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.964005090 u |
| Formula | C8H7BrN2O3 |
| InChI | InChI=1S/C8H7BrN2O3/c1-5(12)10-7-4-6(9)2-3-8(7)11(13)14/h2-4H,1H3,(H,10,12) |
| InChIKey | OZYXAZLLOVTHKF-UHFFFAOYSA-N |
| Molecular Weight | 259.059 g/mol |
| SMILES | C1(=CC=C(C(=C1)NC(=O)C)N(=O)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93257 |