SpectraBase Spectrum ID |
4TYizgtGPCe |
Name |
Piperazine, 1-[(3,4-dichlorophenyl)acetyl]-4-N-propyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
314.095268671 u |
Formula |
C15H20Cl2N2O |
InChI |
InChI=1S/C15H20Cl2N2O/c1-2-5-18-6-8-19(9-7-18)15(20)11-12-3-4-13(16)14(17)10-12/h3-4,10H,2,5-9,11H2,1H3 |
InChIKey |
NOLNVJLILCVZCT-UHFFFAOYSA-N |
Molecular Weight |
315.244 g/mol |
SMILES |
C1(=C(C=CC(=C1)CC(=O)N1CCN(CC1)CCC)Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901801 |