| SpectraBase Spectrum ID |
FEKaePfFaXV |
| Name |
2-(2,3-Dimethoxybenzylidene)malonic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.125988358 u |
| Formula |
C16H20O6 |
| InChI |
InChI=1S/C16H20O6/c1-5-21-15(17)12(16(18)22-6-2)10-11-8-7-9-13(19-3)14(11)20-4/h7-10H,5-6H2,1-4H3 |
| InChIKey |
VCHSRJSLOQLZKE-UHFFFAOYSA-N |
| Molecular Weight |
308.330 g/mol |
| SMILES |
C(=CC=1C(=C(OC)C=CC1)OC)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976051 |
