SpectraBase Spectrum ID |
FXlxgrbeqRn |
Name |
Ethyl 1,8-dioxo-6-(4-methoxyphenyl)-3-phenyl-1H,8H-pyrano[3,4-C]pyran-4-carboxylate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
418.105252913 u |
Formula |
C24H18O7 |
InChI |
InChI=1S/C24H18O7/c1-3-29-22(25)19-17-13-18(14-9-11-16(28-2)12-10-14)30-23(26)20(17)24(27)31-21(19)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3 |
InChIKey |
FIZBRLTZFBKDKJ-UHFFFAOYSA-N |
Molecular Weight |
418.401 g/mol |
SMILES |
C12=C(C(=O)OC(=C2C(=O)OCC)C2=CC=CC=C2)C(=O)OC(=C1)C=1C=CC(=CC1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921939 |