| SpectraBase Spectrum ID |
GZN1byCfXy6 |
| Name |
Ethyl 4-(2-Cyanophenyl)-3-methyl-2-(phenylthio)butanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21NO2S |
| InChI |
InChI=1S/C20H21NO2S/c1-3-23-20(22)19(24-18-11-5-4-6-12-18)15(2)13-16-9-7-8-10-17(16)14-21/h4-12,15,19H,3,13H2,1-2H3 |
| InChIKey |
QCEXWWXAONOGFV-UHFFFAOYSA-N |
| Molecular Weight |
339.453 g/mol |
| SMILES |
C(C(=O)OCC)(Sc1ccccc1)C(Cc1c(C#N)cccc1)C |
| SPLASH |
splash10-0002-0902000000-98a958674c4a343743a6 |
| Source of Spectrum |
AJ-72-1073-4 |
| Synonyms |
ethyl 4-(2-cyanophenyl)-3-methyl-2-(phenylsulfanyl)butanoate |
| Wiley ID |
775156 |
