| SpectraBase Compound ID | 3X8ncnRhSGr |
|---|---|
| InChI | InChI=1S/C7H8IN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3 |
| InChIKey | BGKLFAQCHHCZRZ-UHFFFAOYSA-N |
| Mol Weight | 233.05 g/mol |
| Molecular Formula | C7H8IN |
| Exact Mass | 232.970144 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | XaOwMO7CBA |
|---|---|
| Name | 4-Iodo-o-toluidine |
| 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/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3 |
| InChIKey | BGKLFAQCHHCZRZ-UHFFFAOYSA-N |
| Molecular Weight | 233.052 g/mol |
| SMILES | NC1=C(C=C(C=C1)I)C |
| Spectrum/Structure Validation Score (Raman) | 0.887488 |