| SpectraBase Spectrum ID |
HbC5kgGmIHy |
| Name |
3-Butenoic acid, 4-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-3-methyl-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.108085824 u |
| Formula |
C20H20ClNO4 |
| InChI |
InChI=1S/C20H20ClNO4/c1-12(10-18(23)26-2)9-13-11-14(7-8-17(13)21)22-19(24)15-5-3-4-6-16(15)20(22)25/h7-9,11H,3-6,10H2,1-2H3/b12-9+ |
| InChIKey |
TXZCEWBNNPHAJY-FMIVXFBMSA-N |
| Molecular Weight |
373.836 g/mol |
| SMILES |
C1(N(C(C=2CCCCC12)=O)C1=CC=C(C(=C1)\C=C\(CC(OC)=O)C)Cl)=O |
![3-Butenoic acid, 4-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-3-methyl-, methyl ester](/api/spectrum/HbC5kgGmIHy/structure.png?h=300&w=458 "3-Butenoic acid, 4-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-3-methyl-, methyl ester")
