| SpectraBase Compound ID | HXoSsjv1qrk |
|---|---|
| InChI | InChI=1S/C7H6INO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3 |
| InChIKey | KBQBNJHOTNIGDD-UHFFFAOYSA-N |
| Mol Weight | 279.03 g/mol |
| Molecular Formula | C7H6INO3 |
| Exact Mass | 278.939238 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5k9xvDyJ5JA |
|---|---|
| Name | 2-Iodo-4-nitroanisole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.939238054 u |
| Formula | C7H6INO3 |
| InChI | InChI=1S/C7H6INO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3 |
| InChIKey | KBQBNJHOTNIGDD-UHFFFAOYSA-N |
| Molecular Weight | 279.033 g/mol |
| SMILES | N(=O)(=O)C1=CC=C(C(I)=C1)OC |
| Spectrum/Structure Validation Score (Raman) | 0.980004 |