| SpectraBase Compound ID | HqBaeSyiH2Q |
|---|---|
| InChI | InChI=1S/C10H10INO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14) |
| InChIKey | PHQKQZWGTMATIC-UHFFFAOYSA-N |
| Mol Weight | 303.1 g/mol |
| Molecular Formula | C10H10INO2 |
| Exact Mass | 302.975624 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dzcxej4gjbl |
|---|---|
| Name | N-(4-Iodophenyl)-3-oxobutanamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.975623564 u |
| Formula | C10H10INO2 |
| InChI | InChI=1S/C10H10INO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14) |
| InChIKey | PHQKQZWGTMATIC-UHFFFAOYSA-N |
| Molecular Weight | 303.099 g/mol |
| SMILES | C(CC(C)=O)(=O)NC1=CC=C(C=C1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880489 |