| SpectraBase Compound ID | 2ebf2j6TCD3 |
|---|---|
| InChI | InChI=1S/C11H13IO3/c1-3-4-15-11-9(12)5-8(7-13)6-10(11)14-2/h5-7H,3-4H2,1-2H3 |
| InChIKey | WJFHRYWKLRKARI-UHFFFAOYSA-N |
| Mol Weight | 320.13 g/mol |
| Molecular Formula | C11H13IO3 |
| Exact Mass | 319.990939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | hhxoscJpGG |
|---|---|
| Name | 3-Iodo-5-methoxy-4-propoxybenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.990939276 u |
| Formula | C11H13IO3 |
| InChI | InChI=1S/C11H13IO3/c1-3-4-15-11-9(12)5-8(7-13)6-10(11)14-2/h5-7H,3-4H2,1-2H3 |
| InChIKey | WJFHRYWKLRKARI-UHFFFAOYSA-N |
| Molecular Weight | 320.126 g/mol |
| SMILES | C1(I)=C(C(=CC(=C1)C=O)OC)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949896 |