| SpectraBase Compound ID | BxJzQWLKWCU |
|---|---|
| InChI | InChI=1S/C10H11IO2/c1-2-4-10(12)13-9-6-3-5-8(11)7-9/h3,5-7H,2,4H2,1H3 |
| InChIKey | JWOQOACTXCRCGB-UHFFFAOYSA-N |
| Mol Weight | 290.1 g/mol |
| Molecular Formula | C10H11IO2 |
| Exact Mass | 289.980375 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7lWwjIM4hng |
|---|---|
| Name | Butyric acid, m-iodophenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.980374592 u |
| Formula | C10H11IO2 |
| InChI | InChI=1S/C10H11IO2/c1-2-4-10(12)13-9-6-3-5-8(11)7-9/h3,5-7H,2,4H2,1H3 |
| InChIKey | JWOQOACTXCRCGB-UHFFFAOYSA-N |
| Molecular Weight | 290.100 g/mol |
| SMILES | C(OC1=CC(I)=CC=C1)(CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849062 |