| SpectraBase Spectrum ID |
5n6GkoPbtks |
| Name |
Piperazine, N-[2-hydroxy-5-acetylaminobenzyl]-N'-[3-chloro-4-methylbenzyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.171354787 u |
| Formula |
C21H26ClN3O2 |
| InChI |
InChI=1S/C21H26ClN3O2/c1-15-3-4-17(11-20(15)22)13-24-7-9-25(10-8-24)14-18-12-19(23-16(2)26)5-6-21(18)27/h3-6,11-12,27H,7-10,13-14H2,1-2H3,(H,23,26) |
| InChIKey |
TVJXHAIXECZJDW-UHFFFAOYSA-N |
| Molecular Weight |
387.911 g/mol |
| SMILES |
C1(Cl)=C(C)C=CC(=C1)CN1CCN(CC=2C(O)=CC=C(NC(=O)C)C2)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828648 |
![Piperazine, N-[2-hydroxy-5-acetylaminobenzyl]-N'-[3-chloro-4-methylbenzyl]-](/api/spectrum/5n6GkoPbtks/structure.png?h=300&w=458 "Piperazine, N-[2-hydroxy-5-acetylaminobenzyl]-N'-[3-chloro-4-methylbenzyl]-")
