| SpectraBase Spectrum ID |
I2LHkp8MdMd |
| Name |
alpha-Acetyl-gamma-phenyl-beta,1,3-trioxo-2-isoindolinevaleric acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.136887394 u |
| Formula |
C23H21NO6 |
| InChI |
InChI=1S/C23H21NO6/c1-3-30-23(29)19(14(2)25)20(26)18(15-9-5-4-6-10-15)13-24-21(27)16-11-7-8-12-17(16)22(24)28/h4-12,18-19H,3,13H2,1-2H3 |
| InChIKey |
SSWLDPAPIHOIDP-UHFFFAOYSA-N |
| Molecular Weight |
407.422 g/mol |
| SMILES |
C1=C(C(CN2C(C3=C(C=CC=C3)C2=O)=O)C(C(C(OCC)=O)C(C)=O)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.928169 |
