| SpectraBase Compound ID | KAJ05uTB3F7 |
|---|---|
| InChI | InChI=1S/C7H8IN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3 |
| InChIKey | GVVUQVPDBMPZKL-UHFFFAOYSA-N |
| Mol Weight | 233.05 g/mol |
| Molecular Formula | C7H8IN |
| Exact Mass | 232.970144 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 | 8uamemkzBmJ |
|---|---|
| Name | m-Toluidine, 2-iodo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.970144262 u |
| Formula | C7H8IN |
| InChI | InChI=1S/C7H8IN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3 |
| InChIKey | GVVUQVPDBMPZKL-UHFFFAOYSA-N |
| Molecular Weight | 233.052 g/mol |
| SMILES | C1(=C(C=CC=C1C)N)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.826767 |