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

*Links on SpectraBase are not permalinks.

N-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)-3-phenylpropanamide

View entire compound with spectra: 2 NMR

N-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)-3-phenylpropanamide
SpectraBase Compound ID K8P2cXUKelf
InChI InChI=1S/C25H25ClN2O4/c1-32-20-10-9-17(26)13-18(20)27-23(29)19(11-14-5-3-2-4-6-14)28-24(30)21-15-7-8-16(12-15)22(21)25(28)31/h2-6,9-10,13,15-16,19,21-22H,7-8,11-12H2,1H3,(H,27,29)
InChIKey XYMITFLEZBCSSK-UHFFFAOYSA-N
Mol Weight 452.94 g/mol
Molecular Formula C25H25ClN2O4
Exact Mass 452.150285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 2RVoWUne4Bm
Name N-(5-Chloro-2-methoxyphenyl)-2-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)-3-phenylpropanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.150284989 u
Formula C25H25ClN2O4
InChI InChI=1S/C25H25ClN2O4/c1-32-20-10-9-17(26)13-18(20)27-23(29)19(11-14-5-3-2-4-6-14)28-24(30)21-15-7-8-16(12-15)22(21)25(28)31/h2-6,9-10,13,15-16,19,21-22H,7-8,11-12H2,1H3,(H,27,29)
InChIKey XYMITFLEZBCSSK-UHFFFAOYSA-N
Molecular Weight 452.938 g/mol
SMILES N(C(C(N1C(C2C3CCC(C2C1=O)C3)=O)CC1=CC=CC=C1)=O)C=1C=C(Cl)C=CC1OC