| SpectraBase Compound ID | J2qolhrAqTm |
|---|---|
| InChI | InChI=1S/C8H11IO2/c1-2-3-7-11-8(10)5-4-6-9/h4-7H2,1H3 |
| InChIKey | DKSRGSOHARPGFJ-UHFFFAOYSA-N |
| Mol Weight | 266.08 g/mol |
| Molecular Formula | C8H11IO2 |
| Exact Mass | 265.980375 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 23HGDYoOVhH |
|---|---|
| Name | Butanoic acid, 4-iodo-, 2-butynyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.980374592 u |
| Formula | C8H11IO2 |
| InChI | InChI=1S/C8H11IO2/c1-2-3-7-11-8(10)5-4-6-9/h4-7H2,1H3 |
| InChIKey | DKSRGSOHARPGFJ-UHFFFAOYSA-N |
| Molecular Weight | 266.078 g/mol |
| SMILES | C(#CC)COC(=O)CCCI |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976905 |