| SpectraBase Spectrum ID |
E21ryGELT6N |
| Name |
Ethyl (E)-2-((8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydro-quinolin-2-yl)thio)acetate |
| Appearance |
Brown crystals |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
508.077904528 u |
| Formula |
C27H22Cl2N2O2S |
| InChI |
InChI=1S/C27H22Cl2N2O2S/c1-2-33-24(32)16-34-27-23(15-30)25(18-8-12-21(29)13-9-18)22-5-3-4-19(26(22)31-27)14-17-6-10-20(28)11-7-17/h6-14H,2-5,16H2,1H3/b19-14+ |
| InChIKey |
BJNVBPURNQYZIX-XMHGGMMESA-N |
| Instrument Name |
Hewlett Packard MS-5988-USA or Joel-JMS 600 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1016/j.arabjc.2023.104543 |
| Molecular Weight |
509.451 g/mol |
| Quality |
590 |
| SMILES |
C(C)OC(CSC1=NC=2\C(CCCC2C(=C1C#N)C1=CC=C(C=C1)Cl)=C\C1=CC=C(C=C1)Cl)=O |
| SPLASH |
splash10-0bt9-0111290000-ca79e56607ee3bec84e8 |
| Source of Spectrum |
AJC-16-SM5-7b (DOI: 10.1016/j.arabjc.2023.104543) |
| Wiley ID |
1911056 |
