| SpectraBase Compound ID | DfRff77ejR7 |
|---|---|
| InChI | InChI=1S/C8H7IO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3 |
| InChIKey | RVWOHBWQJGLXIJ-UHFFFAOYSA-N |
| Mol Weight | 262.05 g/mol |
| Molecular Formula | C8H7IO2 |
| Exact Mass | 261.949074 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CVv2Jzbdw2Y |
|---|---|
| Name | 3-Iodanyl-4-methoxy-benzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.949074463 u |
| Formula | C8H7IO2 |
| InChI | InChI=1S/C8H7IO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3 |
| InChIKey | RVWOHBWQJGLXIJ-UHFFFAOYSA-N |
| Molecular Weight | 262.046 g/mol |
| SMILES | C=1(C(=CC=C(C1)C=O)OC)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927568 |