| SpectraBase Spectrum ID |
IbQXQUspBW9 |
| Name |
Diethyl phthalimidoacetyl malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.100501884 u |
| Formula |
C17H17NO7 |
| InChI |
InChI=1S/C17H17NO7/c1-3-24-16(22)13(17(23)25-4-2)12(19)9-18-14(20)10-7-5-6-8-11(10)15(18)21/h5-8,13H,3-4,9H2,1-2H3 |
| InChIKey |
NCITWUPFLDFKKG-UHFFFAOYSA-N |
| Molecular Weight |
347.323 g/mol |
| SMILES |
CCOC(=O)C(C(=O)CN1C(=O)C2=CC=CC=C2C1=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939645 |
