| SpectraBase Compound ID | 2exsMCV69P5 |
|---|---|
| InChI | InChI=1S/C11H17IO2/c1-9(13)14-11-6-2-4-10(8-11)5-3-7-12/h8,11H,2-7H2,1H3 |
| InChIKey | JWVCDFORAGSVKT-UHFFFAOYSA-N |
| Mol Weight | 308.16 g/mol |
| Molecular Formula | C11H17IO2 |
| Exact Mass | 308.027325 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GfETWAeJhqp |
|---|---|
| Name | 3-(3-Iodopropyl)cyclohex-2-enyl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.027324785 u |
| Formula | C11H17IO2 |
| InChI | InChI=1S/C11H17IO2/c1-9(13)14-11-6-2-4-10(8-11)5-3-7-12/h8,11H,2-7H2,1H3 |
| InChIKey | JWVCDFORAGSVKT-UHFFFAOYSA-N |
| Molecular Weight | 308.159 g/mol |
| SMILES | C(C)(=O)OC1C=C(CCC1)CCCI |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952671 |