| SpectraBase Compound ID | 6959nuDseIp |
|---|---|
| InChI | InChI=1S/C8H7BrN2O2/c1-5(12)10-7-3-2-6(9)4-8(7)11-13/h2-4H,1H3,(H,10,12) |
| InChIKey | BPZPNBGQPMFZFS-UHFFFAOYSA-N |
| Mol Weight | 243.06 g/mol |
| Molecular Formula | C8H7BrN2O2 |
| Exact Mass | 241.96909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JVHnxmfylUy |
|---|---|
| Name | 2-(Acetamino)-5-bromo-1-nitrosobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.969090471 u |
| Formula | C8H7BrN2O2 |
| InChI | InChI=1S/C8H7BrN2O2/c1-5(12)10-7-3-2-6(9)4-8(7)11-13/h2-4H,1H3,(H,10,12) |
| InChIKey | BPZPNBGQPMFZFS-UHFFFAOYSA-N |
| Molecular Weight | 243.060 g/mol |
| SMILES | C=1(C(NC(=O)C)=CC=C(C1)Br)N=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92247 |