| SpectraBase Compound ID | C94zg2wOTxp |
|---|---|
| InChI | InChI=1S/C11H17IO2/c1-2-3-4-5-6-7-10-9(12)8-11(13)14-10/h8,10H,2-7H2,1H3 |
| InChIKey | HMGWPQZWFPHWCJ-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 | CX8kaAm7TyW |
|---|---|
| Name | 2-Heptyl-3-iodanyl-2H-furan-5-one |
| 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/c1-2-3-4-5-6-7-10-9(12)8-11(13)14-10/h8,10H,2-7H2,1H3 |
| InChIKey | HMGWPQZWFPHWCJ-UHFFFAOYSA-N |
| Molecular Weight | 308.159 g/mol |
| SMILES | C1(OC(C(=C1)I)CCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.83694 |