| SpectraBase Spectrum ID |
LAq2Swl6dSJ |
| Name |
2-(4-Fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.078801254 u |
| Formula |
C21H18FNO7S |
| InChI |
InChI=1S/C21H18FNO7S/c1-31(28,29)11-10-17(23-19(25)15-4-2-3-5-16(15)20(23)26)21(27)30-12-18(24)13-6-8-14(22)9-7-13/h2-9,17H,10-12H2,1H3 |
| InChIKey |
VYMQKLALKYYFJG-UHFFFAOYSA-N |
| Molecular Weight |
447.433 g/mol |
| SMILES |
C=1C=C2C(N(C(C2=CC1)=O)C(C(OCC(C1=CC=C(C=C1)F)=O)=O)CCS(=O)(=O)C)=O |
