| SpectraBase Spectrum ID |
8j3sJ1vwoCi |
| Name |
6-[(1S,3R)-3-methylcyclohexyl]pyridine-3-carbonitrile |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16N2 |
| InChI |
InChI=1S/C13H16N2/c1-10-3-2-4-12(7-10)13-6-5-11(8-14)9-15-13/h5-6,9-10,12H,2-4,7H2,1H3/t10-,12+/m1/s1 |
| InChIKey |
QGVIYFQTBIQFJU-PWSUYJOCSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201914490 |
| Molecular Weight |
200.285 g/mol |
| Reported Formula |
C13H16N2 |
| SMILES |
c1(ccc(nc1)[C@@]1(C[C@@](CCC1)(C)[H])[H])C#N |
| SPLASH |
splash10-0a5i-0910000000-43bcfe5d2949bc8ffcb0 |
| Sample Comments |
dr = 91:1 |
| Source of Spectrum |
ACI-59-SM27-3aa |
| Wiley ID |
1857638 |
![6-[(1S,3R)-3-methylcyclohexyl]pyridine-3-carbonitrile](/api/spectrum/8j3sJ1vwoCi/structure.png?h=300&w=458 "6-[(1S,3R)-3-methylcyclohexyl]pyridine-3-carbonitrile")
