| SpectraBase Spectrum ID |
GYgCrCvzm6e |
| Name |
Malonic acic, 2-(3-phthalimido-2-oxopropyl)-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.116151949 u |
| Formula |
C18H19NO7 |
| InChI |
InChI=1S/C18H19NO7/c1-3-25-17(23)14(18(24)26-4-2)9-11(20)10-19-15(21)12-7-5-6-8-13(12)16(19)22/h5-8,14H,3-4,9-10H2,1-2H3 |
| InChIKey |
RUBYDQCBIVFOGQ-UHFFFAOYSA-N |
| Molecular Weight |
361.350 g/mol |
| SMILES |
C1(=O)N(CC(CC(C(=O)OCC)C(OCC)=O)=O)C(C=2C1=CC=CC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94109 |
