| SpectraBase Spectrum ID |
1cpH81MpUTd |
| Name |
2-[2'-Cyclopropylamino-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 |
C21H15F3N2O3S |
| InChI |
InChI=1S/C21H15F3N2O3S/c1-30-19(25-10-6-7-10)17(18(27)13-8-15(23)16(24)9-14(13)22)26-20(28)11-4-2-3-5-12(11)21(26)29/h2-5,8-10,25H,6-7H2,1H3/b19-17+ |
| InChIKey |
RATQRJACVJKXSQ-HTXNQAPBSA-N |
| Molecular Weight |
432.417 g/mol |
| SMILES |
N(\C(=C\(N1C(c2ccccc2C1=O)=O)C(c1c(cc(c(c1)F)F)F)=O)SC)C1CC1 |
| SPLASH |
splash10-0a4i-0900000000-66baea60ed3f9d2b46f6 |
| Source of Spectrum |
G-62-796-7 |
| Wiley ID |
749246 |
![2-[2'-Cyclopropylamino-2'-methylsulfanyl-1'-(2',4',5'-tyrifluorobenzoyl)ethyl]-1H-isoindole-1,3(2H)-dione](/api/spectrum/1cpH81MpUTd/structure.png?h=300&w=458 "2-[2'-Cyclopropylamino-2'-methylsulfanyl-1'-(2',4',5'-tyrifluorobenzoyl)ethyl]-1H-isoindole-1,3(2H)-dione")
