| SpectraBase Spectrum ID |
FDNafEewvIu |
| Name |
4-(2-Hydroxy-3-methoxy-benzylidene)-1-(4-iodo-phenyl)-pyrazolidine-3,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
435.992001903 u |
| Formula |
C17H13IN2O4 |
| InChI |
InChI=1S/C17H13IN2O4/c1-24-14-4-2-3-10(15(14)21)9-13-16(22)19-20(17(13)23)12-7-5-11(18)6-8-12/h2-9,21H,1H3,(H,19,22)/b13-9- |
| InChIKey |
WXMXYEWFASGUQI-LCYFTJDESA-N |
| Molecular Weight |
436.205 g/mol |
| SMILES |
COC1=CC=CC(\C=C/2C(N(C3=CC=C(C=C3)I)NC2=O)=O)=C1O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890252 |
