| SpectraBase Spectrum ID |
2x6rY8E80DD |
| Name |
6,8-Diiodo-5-hydroxy-2,7-dimethylchromone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.856284115 u |
| Formula |
C11H8I2O3 |
| InChI |
InChI=1S/C11H8I2O3/c1-4-3-6(14)7-10(15)8(12)5(2)9(13)11(7)16-4/h3,15H,1-2H3 |
| InChIKey |
UNUMTIBKXIFWFB-UHFFFAOYSA-N |
| Molecular Weight |
441.991 g/mol |
| SMILES |
C12=C(C(I)=C(C(=C2O)I)C)OC(=CC1=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881377 |
