| SpectraBase Spectrum ID |
1CDYUux37jm |
| Name |
Ethyl 4-(2-Cyanophenyl)-3-phenyl-2-(phenylthio)butanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H23NO2S |
| InChI |
InChI=1S/C25H23NO2S/c1-2-28-25(27)24(29-22-15-7-4-8-16-22)23(19-11-5-3-6-12-19)17-20-13-9-10-14-21(20)18-26/h3-16,23-24H,2,17H2,1H3 |
| InChIKey |
FSWGWNCIOSGVCX-UHFFFAOYSA-N |
| Molecular Weight |
401.524 g/mol |
| SMILES |
C(C(Cc1c(C#N)cccc1)c1ccccc1)(C(=O)OCC)Sc1ccccc1 |
| SPLASH |
splash10-0a4i-0090000000-b2af1937b3e6e124efa7 |
| Source of Spectrum |
AJ-72-1073-4 |
| Synonyms |
ethyl 4-(2-cyanophenyl)-3-phenyl-2-(phenylsulfanyl)butanoate |
| Wiley ID |
775155 |
