| SpectraBase Spectrum ID |
2PG0DdvWC9Y |
| Name |
N-[2-(4-Ethyl-3-phenyl-1-piperazinyl)ethyl]propionanilide, dihydrochloride, hydrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.210632777 u |
| Formula |
C23H35Cl2N3O2 |
| InChI |
InChI=1S/C23H31N3O.2ClH.H2O/c1-3-23(27)26(21-13-9-6-10-14-21)18-16-24-15-17-25(4-2)22(19-24)20-11-7-5-8-12-20;;;/h5-14,22H,3-4,15-19H2,1-2H3;2*1H;1H2 |
| InChIKey |
DNCUTURQCIKFPV-UHFFFAOYSA-N |
| Molecular Weight |
456.458 g/mol |
| SMILES |
O.Cl.Cl.C=1C(=CC=CC1)N(CCN1CCN(C(C1)C=1C=CC=CC1)CC)C(CC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.989482 |
![N-[2-(4-ethyl-3-phenyl-1-piperazinyl)ethyl]propionanilide, dihydrochloride, hydrate](/api/spectrum/2PG0DdvWC9Y/structure.png?h=300&w=458 "N-[2-(4-ethyl-3-phenyl-1-piperazinyl)ethyl]propionanilide, dihydrochloride, hydrate")
