| SpectraBase Spectrum ID |
BrQvrntQsvY |
| Name |
5-(4-Hydroxy-3-iodo-5-methoxy-benzylidene)-2-methyl-2-phenyl-[1,3]dioxane-4,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
465.991333197 u |
| Formula |
C19H15IO6 |
| InChI |
InChI=1S/C19H15IO6/c1-19(12-6-4-3-5-7-12)25-17(22)13(18(23)26-19)8-11-9-14(20)16(21)15(10-11)24-2/h3-10,21H,1-2H3/b13-8- |
| InChIKey |
CLHUJUKDEFFCSJ-JYRVWZFOSA-N |
| Molecular Weight |
466.227 g/mol |
| SMILES |
C1(C(OC(OC1=O)(C=1C=CC=CC1)C)=O)=CC=1C=C(I)C(=C(C1)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934273 |
![5-(4-Hydroxy-3-iodo-5-methoxy-benzylidene)-2-methyl-2-phenyl-[1,3]dioxane-4,6-dione](/api/spectrum/BrQvrntQsvY/structure.png?h=300&w=458 "5-(4-Hydroxy-3-iodo-5-methoxy-benzylidene)-2-methyl-2-phenyl-[1,3]dioxane-4,6-dione")
