| SpectraBase Spectrum ID |
6UXblyhQYbi |
| Name |
Ethyl 4-(2-(2-oxopyrrolidin-1-yl)propanoyl)benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.131408092 u |
| Formula |
C16H19NO4 |
| InChI |
InChI=1S/C16H19NO4/c1-3-21-16(20)13-8-6-12(7-9-13)15(19)11(2)17-10-4-5-14(17)18/h6-9,11H,3-5,10H2,1-2H3 |
| InChIKey |
XJFDSJZWASBPAY-UHFFFAOYSA-N |
| SMILES |
C1=C(C=CC(=C1)C(C(C)N1CCCC1=O)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802352 |
