| SpectraBase Spectrum ID |
7UVRLSVlVVX |
| Name |
Benzenepropanoic acid, alpha-acetyl-2-chloro-alpha-ethyl-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.149950636 u |
| Formula |
C23H26ClNO5 |
| InChI |
InChI=1S/C23H26ClNO5/c1-4-23(14(3)26,22(29)30-5-2)13-15-12-16(10-11-19(15)24)25-20(27)17-8-6-7-9-18(17)21(25)28/h10-12H,4-9,13H2,1-3H3 |
| InChIKey |
TZEJGPDZEZHYMA-UHFFFAOYSA-N |
| Molecular Weight |
431.916 g/mol |
| SMILES |
C1(N(C(C=2CCCCC12)=O)C1=CC=C(C(=C1)CC(CC)(C(=O)C)C(OCC)=O)Cl)=O |
| Spectrum/Structure Validation Score (Raman) |
0.784074 |
