| SpectraBase Compound ID | BUnDtossVfB |
|---|---|
| InChI | InChI=1S/C9H7IO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2 |
| InChIKey | ULAUMFDMSJNKHA-UHFFFAOYSA-N |
| Mol Weight | 258.06 g/mol |
| Molecular Formula | C9H7IO |
| Exact Mass | 257.95416 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HXP7dqN66gf |
|---|---|
| Name | 4-Iodo-1-indanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.954159844 u |
| Formula | C9H7IO |
| InChI | InChI=1S/C9H7IO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2 |
| InChIKey | ULAUMFDMSJNKHA-UHFFFAOYSA-N |
| Molecular Weight | 258.058 g/mol |
| SMILES | C1(I)=CC=CC=2C(=O)CCC12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.825445 |