| SpectraBase Compound ID | K3H1I5n0xyf |
|---|---|
| InChI | InChI=1S/C8H6BrNO2/c9-8-3-1-2-7(6-8)4-5-10(11)12/h1-6H/b5-4- |
| InChIKey | NWHBBZILZXZIBO-PLNGDYQASA-N |
| Mol Weight | 228.04 g/mol |
| Molecular Formula | C8H6BrNO2 |
| Exact Mass | 226.958191 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DunI4ead5dT |
|---|---|
| Name | 1-(3-Bromophenyl)-2-nitroethene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.958191435 u |
| Formula | C8H6BrNO2 |
| InChI | InChI=1S/C8H6BrNO2/c9-8-3-1-2-7(6-8)4-5-10(11)12/h1-6H/b5-4- |
| InChIKey | NWHBBZILZXZIBO-PLNGDYQASA-N |
| Molecular Weight | 228.045 g/mol |
| SMILES | C=1(C=C(C=CC1)Br)\C=C/[N+](=O)[O-] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844909 |