| SpectraBase Spectrum ID |
Iwv6MUD0jXA |
| Name |
2-Propenoic acid, 3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-, butyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.123735888 u |
| Formula |
C21H22ClNO4 |
| InChI |
InChI=1S/C21H22ClNO4/c1-2-3-12-27-19(24)11-8-14-13-15(9-10-18(14)22)23-20(25)16-6-4-5-7-17(16)21(23)26/h8-11,13H,2-7,12H2,1H3/b11-8+ |
| InChIKey |
WKYPDTUKIGSHBQ-DHZHZOJOSA-N |
| Molecular Weight |
387.863 g/mol |
| SMILES |
C1(N(C(C=2CCCCC12)=O)C1=CC=C(C(=C1)\C=C\C(OCCCC)=O)Cl)=O |
![2-Propenoic acid, 3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-, butyl ester](/api/spectrum/Iwv6MUD0jXA/structure.png?h=300&w=458 "2-Propenoic acid, 3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-, butyl ester")
