| SpectraBase Spectrum ID |
EvWkrmc9WcM |
| Name |
3-Pyridinecarbonitrile, 1,4,5,6-tetrahydro-1-methyl-6-(4-methylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.131348523 u |
| Formula |
C14H16N2 |
| InChI |
InChI=1S/C14H16N2/c1-11-3-6-13(7-4-11)14-8-5-12(9-15)10-16(14)2/h3-4,6-7,10,14H,5,8H2,1-2H3 |
| InChIKey |
LDKDZTPYLDXAEQ-UHFFFAOYSA-N |
| Molecular Weight |
212.296 g/mol |
| SMILES |
C1=C(CCC(N1C)C1=CC=C(C=C1)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854413 |
