| SpectraBase Spectrum ID |
IzogacSlpnW |
| Name |
4-(o-Chlorophenyl)-alpha,alpha-dimethyl-1-piperazineacetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.118925292 u |
| Formula |
C14H18ClN3 |
| InChI |
InChI=1S/C14H18ClN3/c1-14(2,11-16)18-9-7-17(8-10-18)13-6-4-3-5-12(13)15/h3-6H,7-10H2,1-2H3 |
| InChIKey |
RAPCJOQEDWDSOZ-UHFFFAOYSA-N |
| Molecular Weight |
263.772 g/mol |
| SMILES |
C=1(Cl)C=CC=CC1N1CCN(CC1)C(C#N)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.871463 |
