| SpectraBase Spectrum ID |
3OcBTPAcZ1a |
| Name |
3-Quinolinecarbonitrile, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(2-thienyl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.113984381 u |
| Formula |
C17H18N2OS |
| InChI |
InChI=1S/C17H18N2OS/c1-10-11(9-18)15(14-5-4-6-21-14)16-12(19-10)7-17(2,3)8-13(16)20/h4-6,15,19H,7-8H2,1-3H3 |
| InChIKey |
PIYSWQNGPBJWPC-UHFFFAOYSA-N |
| Molecular Weight |
298.404 g/mol |
| SMILES |
C12=C(NC(=C(C2C=2SC=CC2)C#N)C)CC(CC1=O)(C)C |
