| SpectraBase Compound ID | 8TwYBngHXfP |
|---|---|
| InChI | InChI=1S/C8H7IO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4H2 |
| InChIKey | BSLVNOLUEJOXMR-UHFFFAOYSA-N |
| Mol Weight | 246.05 g/mol |
| Molecular Formula | C8H7IO |
| Exact Mass | 245.95416 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2Dfbdyieu7D |
|---|---|
| Name | 5-Iodo-2,3-dihydrobenzofuran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.954159844 u |
| Formula | C8H7IO |
| InChI | InChI=1S/C8H7IO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4H2 |
| InChIKey | BSLVNOLUEJOXMR-UHFFFAOYSA-N |
| Molecular Weight | 246.047 g/mol |
| SMILES | C1OC=2C(C1)=CC(=CC2)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904794 |