| SpectraBase Compound ID | 9IZzpiJI0VH |
|---|---|
| InChI | InChI=1S/C7H9IO2/c8-5-4-6-2-1-3-7(9)10-6/h4-6H,1-3H2/b5-4+ |
| InChIKey | ALULBBYDSLOYDG-SNAWJCMRSA-N |
| Mol Weight | 252.05 g/mol |
| Molecular Formula | C7H9IO2 |
| Exact Mass | 251.964725 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2MHyTiuD2CX |
|---|---|
| Name | (E)-6-(2-Iodovinyl)tetrahydro-2H-pyran-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.964724528 u |
| Formula | C7H9IO2 |
| InChI | InChI=1S/C7H9IO2/c8-5-4-6-2-1-3-7(9)10-6/h4-6H,1-3H2/b5-4+ |
| InChIKey | ALULBBYDSLOYDG-SNAWJCMRSA-N |
| Molecular Weight | 252.051 g/mol |
| SMILES | C1CCC(OC1=O)\C=C\I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966365 |