| SpectraBase Compound ID | EfiMzS8SASm |
|---|---|
| InChI | InChI=1S/C7H6INO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2 |
| InChIKey | VMRVVTVWRDVDAM-UHFFFAOYSA-N |
| Mol Weight | 263.03 g/mol |
| Molecular Formula | C7H6INO2 |
| Exact Mass | 262.944323 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | H6Vz6LZvSgz |
|---|---|
| Name | 3-Nitrobenzyl iodide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.944323435 u |
| Formula | C7H6INO2 |
| InChI | InChI=1S/C7H6INO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2 |
| InChIKey | VMRVVTVWRDVDAM-UHFFFAOYSA-N |
| Molecular Weight | 263.034 g/mol |
| SMILES | C1(=CC(=CC=C1)CI)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952956 |