| SpectraBase Spectrum ID |
4oGMHR0Lubk |
| Name |
Benzoic acid, 4-[2-(3-oxopiperazin-2-yl)acetylamino]-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.137556100 u |
| Formula |
C15H19N3O4 |
| InChI |
InChI=1S/C15H19N3O4/c1-2-22-15(21)10-3-5-11(6-4-10)18-13(19)9-12-14(20)17-8-7-16-12/h3-6,12,16H,2,7-9H2,1H3,(H,17,20)(H,18,19) |
| InChIKey |
DYCSYFGMOVSWAT-UHFFFAOYSA-N |
| Molecular Weight |
305.334 g/mol |
| SMILES |
C1(C(CC(NC2=CC=C(C(=O)OCC)C=C2)=O)NCCN1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900037 |
![Benzoic acid, 4-[2-(3-oxopiperazin-2-yl)acetylamino]-, ethyl ester](/api/spectrum/4oGMHR0Lubk/structure.png?h=300&w=458 "Benzoic acid, 4-[2-(3-oxopiperazin-2-yl)acetylamino]-, ethyl ester")
