| SpectraBase Compound ID | 8mx85UNhOUI |
|---|---|
| InChI | InChI=1S/C12H9IO/c1-8(14)10-7-6-9-4-2-3-5-11(9)12(10)13/h2-7H,1H3 |
| InChIKey | QPSMPFQFWJCQQL-UHFFFAOYSA-N |
| Mol Weight | 296.11 g/mol |
| Molecular Formula | C12H9IO |
| Exact Mass | 295.96981 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IaHHG9s2MFi |
|---|---|
| Name | 1-(1-Iodanylnaphthalen-2-yl)ethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.969809909 u |
| Formula | C12H9IO |
| InChI | InChI=1S/C12H9IO/c1-8(14)10-7-6-9-4-2-3-5-11(9)12(10)13/h2-7H,1H3 |
| InChIKey | QPSMPFQFWJCQQL-UHFFFAOYSA-N |
| Molecular Weight | 296.107 g/mol |
| SMILES | C=1(C(=C2C=CC=CC2=CC1)I)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916478 |