| SpectraBase Spectrum ID |
5Te3SmbYyCK |
| Name |
3,4-bis(2-Iodoethoxy)benzaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.887584243 u |
| Formula |
C11H12I2O3 |
| InChI |
InChI=1S/C11H12I2O3/c12-3-5-15-10-2-1-9(8-14)7-11(10)16-6-4-13/h1-2,7-8H,3-6H2 |
| InChIKey |
IAKOTDHMGPWOFO-UHFFFAOYSA-N |
| Molecular Weight |
446.023 g/mol |
| Nominal Mass |
446 u |
| SMILES |
C=1(C(=CC=C(C1)C=O)OCCI)OCCI |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953239 |