| SpectraBase Spectrum ID |
E6NEDYmig8l |
| Name |
1-(2,6-Dichlorobenzyl)-3-oxo-2-piperazineacetic acid, ethyl ester, monohydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.046125577 u |
| Formula |
C15H19Cl3N2O3 |
| InChI |
InChI=1S/C15H18Cl2N2O3.ClH/c1-2-22-14(20)8-13-15(21)18-6-7-19(13)9-10-11(16)4-3-5-12(10)17;/h3-5,13H,2,6-9H2,1H3,(H,18,21);1H |
| InChIKey |
UYIQLVSCJLEAHR-UHFFFAOYSA-N |
| Molecular Weight |
381.687 g/mol |
| SMILES |
Cl.N1C(C(N(CC1)CC1=C(C=CC=C1Cl)Cl)CC(=O)OCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.983352 |
