| SpectraBase Spectrum ID |
JHBRWzF9FUW |
| Name |
5-Hydroxy-6,8-diiodo-2-styrylchromone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
515.871934179 u |
| Formula |
C17H10I2O3 |
| InChI |
InChI=1S/C17H10I2O3/c18-12-9-13(19)17-15(16(12)21)14(20)8-11(22-17)7-6-10-4-2-1-3-5-10/h1-9,21H/b7-6+ |
| InChIKey |
NIJKODJQKWACLU-VOTSOKGWSA-N |
| Molecular Weight |
516.073 g/mol |
| SMILES |
C=1(OC2=C(C=C(C(=C2C(C1)=O)O)I)I)\C=C\C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965084 |
