| SpectraBase Compound ID | 5w3NgnQr1wX |
|---|---|
| InChI | InChI=1S/C8H8INO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11) |
| InChIKey | SIULLDWIXYYVCU-UHFFFAOYSA-N |
| Mol Weight | 261.06 g/mol |
| Molecular Formula | C8H8INO |
| Exact Mass | 260.965059 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3AfTHO4ueKP |
|---|---|
| Name | 4'-Iodoacetanilide |
| 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/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11) |
| InChIKey | SIULLDWIXYYVCU-UHFFFAOYSA-N |
| Molecular Weight | 261.062 g/mol |
| SMILES | N(C1=CC=C(C=C1)I)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.836717 |