| SpectraBase Spectrum ID |
D63mZ0f2KtF |
| Name |
alpha,alpha-Dimethyl-4-o-tolyl-1-piperazineacetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.173547688 u |
| Formula |
C15H21N3 |
| InChI |
InChI=1S/C15H21N3/c1-13-6-4-5-7-14(13)17-8-10-18(11-9-17)15(2,3)12-16/h4-7H,8-11H2,1-3H3 |
| InChIKey |
BDDXAVLWFLRPDQ-UHFFFAOYSA-N |
| Molecular Weight |
243.354 g/mol |
| SMILES |
C1(C)=CC=CC=C1N1CCN(CC1)C(C#N)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.921784 |
