| SpectraBase Spectrum ID |
IyZCgQRpXVc |
| Name |
2(1H)-Isoquinolinecarboxylic acid, 1-cyano-, S-ethyl ester |
| Alternate Name(s) |
2(1H)-isoquinolinecarboxylic acid, 1-cyanothio-, O-ethyl ester
Ethyl 1-cyano-2(1H)-isoquinoline thiocarboxylate
O-ethyl 1-cyano-2(1H)-isoquinolinecarbothioate |
| CAS Registry Number |
19821-41-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12N2OS |
| InChI |
InChI=1S/C13H12N2OS/c1-2-16-13(17)15-8-7-10-5-3-4-6-11(10)12(15)9-14/h3-8,12H,2H2,1H3 |
| InChIKey |
YUSSRDGSWMBRJA-UHFFFAOYSA-N |
| Molecular Weight |
244.312 g/mol |
| SMILES |
C1(N(C=Cc2ccccc12)C(=S)OCC)C#N |
| SPLASH |
splash10-004i-6920000000-358d3bac21849da57ed1 |
| Source of Spectrum |
O-3-1077-10 |
| Wiley ID |
1246853 |
