| SpectraBase Compound ID | Lra7MLQfNmP |
|---|---|
| InChI | InChI=1S/C12H15IO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9H,2-5H2,1H3 |
| InChIKey | KEILKZSAIXATSK-UHFFFAOYSA-N |
| Mol Weight | 302.16 g/mol |
| Molecular Formula | C12H15IO |
| Exact Mass | 302.01676 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HvXYvsUgHn |
|---|---|
| Name | 4-Iodo-1-(1-oxohexyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.016760102 u |
| Formula | C12H15IO |
| InChI | InChI=1S/C12H15IO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9H,2-5H2,1H3 |
| InChIKey | KEILKZSAIXATSK-UHFFFAOYSA-N |
| Molecular Weight | 302.155 g/mol |
| SMILES | C(C=1C=CC(=CC1)I)(=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96158 |