| SpectraBase Compound ID | J6Vn7bv4AD7 |
|---|---|
| InChI | InChI=1S/C8H8INO2/c1-4-3-6(10-12)5(2)7(9)8(4)11/h3,11H,1-2H3 |
| InChIKey | LDELMELJLSORPD-UHFFFAOYSA-N |
| Mol Weight | 277.06 g/mol |
| Molecular Formula | C8H8INO2 |
| Exact Mass | 276.959973 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GihXuGW1Zek |
|---|---|
| Name | 2-Iodo-3,6-dimethyl-4-nitrosophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.959973500 u |
| Formula | C8H8INO2 |
| InChI | InChI=1S/C8H8INO2/c1-4-3-6(10-12)5(2)7(9)8(4)11/h3,11H,1-2H3 |
| InChIKey | LDELMELJLSORPD-UHFFFAOYSA-N |
| Molecular Weight | 277.061 g/mol |
| SMILES | C1(=C(C(=C(C(=C1)C)O)I)C)N=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932416 |