| SpectraBase Spectrum ID |
4WiGPsG6q5d |
| Name |
Ethyl 3,4-dimethoxy-N-(3-phthalimidopropionyl)-dl-phenylalaninate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.174001178 u |
| Formula |
C24H26N2O7 |
| InChI |
InChI=1S/C24H26N2O7/c1-4-33-24(30)18(13-15-9-10-19(31-2)20(14-15)32-3)25-21(27)11-12-26-22(28)16-7-5-6-8-17(16)23(26)29/h5-10,14,18H,4,11-13H2,1-3H3,(H,25,27) |
| InChIKey |
SZQCXHFXQMBWJH-UHFFFAOYSA-N |
| Molecular Weight |
454.479 g/mol |
| SMILES |
C1=CC=CC2=C1C(=O)N(C2=O)CCC(NC(CC1=CC(=C(C=C1)OC)OC)C(=O)OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88997 |
