| SpectraBase Compound ID | FBqCeHUnVWk |
|---|---|
| InChI | InChI=1S/C8H8BrNO2/c1-12-8(11)10-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,11) |
| InChIKey | NQAASRWRCHYEBM-UHFFFAOYSA-N |
| Mol Weight | 230.06 g/mol |
| Molecular Formula | C8H8BrNO2 |
| Exact Mass | 228.973841 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JOnmg9Mk3Ny |
|---|---|
| Name | 2-Bromophenylamine, N-methoxycarbonyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.973841500 u |
| Formula | C8H8BrNO2 |
| InChI | InChI=1S/C8H8BrNO2/c1-12-8(11)10-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,11) |
| InChIKey | NQAASRWRCHYEBM-UHFFFAOYSA-N |
| Molecular Weight | 230.061 g/mol |
| SMILES | C(OC)(=O)NC1=CC=CC=C1Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.840581 |