| SpectraBase Spectrum ID |
7s8xnrHpFiY |
| Name |
2-[2'-(N-Cyclopropyl-N-methylamino)-2'-methylsulfanyl-1'-(2',4',5'-tyrifluorobenzoyl)ethyl]-1H-isoindole-1,3(2H)-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H17F3N2O3S |
| InChI |
InChI=1S/C22H17F3N2O3S/c1-26(11-7-8-11)22(31-2)18(19(28)14-9-16(24)17(25)10-15(14)23)27-20(29)12-5-3-4-6-13(12)21(27)30/h3-6,9-11H,7-8H2,1-2H3/b22-18+ |
| InChIKey |
QJEKFBBKABCQPG-RELWKKBWSA-N |
| Molecular Weight |
446.444 g/mol |
| SMILES |
C1(N(\C(=C\(N2C(c3ccccc3C2=O)=O)C(c2c(cc(c(c2)F)F)F)=O)SC)C)CC1 |
| SPLASH |
splash10-0a4i-0900100000-cb06d66d7ce269570246 |
| Source of Spectrum |
G-62-796-7 |
| Wiley ID |
749237 |
![2-[2'-(N-Cyclopropyl-N-methylamino)-2'-methylsulfanyl-1'-(2',4',5'-tyrifluorobenzoyl)ethyl]-1H-isoindole-1,3(2H)-dione](/api/spectrum/7s8xnrHpFiY/structure.png?h=300&w=458 "2-[2'-(N-Cyclopropyl-N-methylamino)-2'-methylsulfanyl-1'-(2',4',5'-tyrifluorobenzoyl)ethyl]-1H-isoindole-1,3(2H)-dione")
