For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Propenoic acid, 3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-2-methyl-, ethyl ester
SpectraBase Compound ID AZLmCofhHkU
InChI InChI=1S/C20H20ClNO4/c1-3-26-20(25)12(2)10-13-11-14(8-9-17(13)21)22-18(23)15-6-4-5-7-16(15)19(22)24/h8-11H,3-7H2,1-2H3/b12-10+
InChIKey HDTYKCSJCUQLOS-ZRDIBKRKSA-N
Mol Weight 373.84 g/mol
Molecular Formula C20H20ClNO4
Exact Mass 373.108086 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EiUolwrGfOp
Name 2-Propenoic acid, 3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-2-methyl-, ethyl 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/c1-3-26-20(25)12(2)10-13-11-14(8-9-17(13)21)22-18(23)15-6-4-5-7-16(15)19(22)24/h8-11H,3-7H2,1-2H3/b12-10+
InChIKey HDTYKCSJCUQLOS-ZRDIBKRKSA-N
Molecular Weight 373.836 g/mol
SMILES C1C2=C(CCC1)C(N(C2=O)C1=CC=C(C(=C1)\C=C\(C(OCC)=O)C)Cl)=O