SpectraBase Spectrum ID |
3PFPGLtQ30s |
Name |
Dimethyl-3,4-di-(4-chlorophenyl)-2-oxo-2,3-dihydrofuran-3,5-dicarboxylate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
420.016743565 u |
Formula |
C20H14Cl2O6 |
InChI |
InChI=1S/C20H14Cl2O6/c1-26-17(23)16-15(11-3-7-13(21)8-4-11)20(18(24)27-2,19(25)28-16)12-5-9-14(22)10-6-12/h3-10H,1-2H3 |
InChIKey |
UWHYJQOQHHRFNW-UHFFFAOYSA-N |
Molecular Weight |
421.232 g/mol |
SMILES |
C=1(OC(C(C1C1=CC=C(C=C1)Cl)(C(=O)OC)C1=CC=C(C=C1)Cl)=O)C(=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93631 |