| SpectraBase Spectrum ID |
6EUW9P2e2Bi |
| Name |
1-Pyrazineacetamide, N,4-bis(3-chlorophenyl)hexahydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.090517643 u |
| Formula |
C18H19Cl2N3O |
| InChI |
InChI=1S/C18H19Cl2N3O/c19-14-3-1-5-16(11-14)21-18(24)13-22-7-9-23(10-8-22)17-6-2-4-15(20)12-17/h1-6,11-12H,7-10,13H2,(H,21,24) |
| InChIKey |
QTCRHQARRNMWJO-UHFFFAOYSA-N |
| Molecular Weight |
364.276 g/mol |
| SMILES |
C1=CC=C(NC(CN2CCN(C3=CC(Cl)=CC=C3)CC2)=O)C=C1Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910243 |
