| SpectraBase Compound ID | zh5d2hkjgs |
|---|---|
| InChI | InChI=1S/C7H8IN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3 |
| InChIKey | IOEHXNCBPIBDBZ-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 | 73oVTVU0TWa |
|---|---|
| Name | 5-Iodo-2-methylaniline |
| 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/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3 |
| InChIKey | IOEHXNCBPIBDBZ-UHFFFAOYSA-N |
| Molecular Weight | 233.052 g/mol |
| SMILES | NC=1C(=CC=C(C1)I)C |
| Spectrum/Structure Validation Score (Raman) | 0.954685 |