| SpectraBase Compound ID | 429bIwfS1Vc |
|---|---|
| InChI | InChI=1S/C8H13IO2/c9-6-2-1-3-7-4-5-8(10)11-7/h7H,1-6H2 |
| InChIKey | DVFMOISVCMFXNX-UHFFFAOYSA-N |
| Mol Weight | 268.09 g/mol |
| Molecular Formula | C8H13IO2 |
| Exact Mass | 267.996025 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A7fyx5eIRpm |
|---|---|
| Name | Dihydro-5-(4-iodobutyl)-2(3H)-furanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.996024657 u |
| Formula | C8H13IO2 |
| InChI | InChI=1S/C8H13IO2/c9-6-2-1-3-7-4-5-8(10)11-7/h7H,1-6H2 |
| InChIKey | DVFMOISVCMFXNX-UHFFFAOYSA-N |
| Molecular Weight | 268.094 g/mol |
| SMILES | C1(OC(CCCCI)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956309 |