| SpectraBase Compound ID | CUcmuvOMWO6 |
|---|---|
| InChI | InChI=1S/C8H8INO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,10H2,1H3 |
| InChIKey | FNYHFPVUSXTSPZ-UHFFFAOYSA-N |
| Mol Weight | 261.06 g/mol |
| Molecular Formula | C8H8INO |
| Exact Mass | 260.965059 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8W8pmEM9Pvz |
|---|---|
| Name | 2-Amino-5-iodoacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.965058881 u |
| Formula | C8H8INO |
| InChI | InChI=1S/C8H8INO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,10H2,1H3 |
| InChIKey | FNYHFPVUSXTSPZ-UHFFFAOYSA-N |
| Molecular Weight | 261.062 g/mol |
| SMILES | C=1(N)C(=CC(=CC1)I)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.820983 |