| SpectraBase Compound ID | 3bUFh1OobkP |
|---|---|
| InChI | InChI=1S/C10H11IO4/c1-13-8-4-7(11)6(5-12)9(14-2)10(8)15-3/h4-5H,1-3H3 |
| InChIKey | YDMKXMPPWOVLTR-UHFFFAOYSA-N |
| Mol Weight | 322.1 g/mol |
| Molecular Formula | C10H11IO4 |
| Exact Mass | 321.970204 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I4YKNIFAfFu |
|---|---|
| Name | 6-Iodo-2,3,4-trimethoxybenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.970203830 u |
| Formula | C10H11IO4 |
| InChI | InChI=1S/C10H11IO4/c1-13-8-4-7(11)6(5-12)9(14-2)10(8)15-3/h4-5H,1-3H3 |
| InChIKey | YDMKXMPPWOVLTR-UHFFFAOYSA-N |
| Molecular Weight | 322.098 g/mol |
| SMILES | C=1(C(=C(OC)C(=CC1I)OC)OC)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873816 |