| SpectraBase Spectrum ID |
Bkl0q7R7lwV |
| Name |
7,7-Dimethyl-4-(2-nitrophenyl)-5-oxo-2-(prop-2-yn-1-ylsulfanyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H19N3O3S |
| InChI |
InChI=1S/C21H19N3O3S/c1-4-9-28-20-14(12-22)18(13-7-5-6-8-16(13)24(26)27)19-15(23-20)10-21(2,3)11-17(19)25/h1,5-8,18,23H,9-11H2,2-3H3 |
| InChIKey |
IZTPQOQEEHKJRU-UHFFFAOYSA-N |
| Molecular Weight |
393.461 g/mol |
| SMILES |
N1C(=C(C(C=2C(CC(CC12)(C)C)=O)c1c(N(=O)=O)cccc1)C#N)SCC#C |
| SPLASH |
splash10-00ar-9136000000-ebb5390c6195132118b1 |
| Source of Spectrum |
O1-47-1121-3a |
| Wiley ID |
1690385 |
