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

*Links on SpectraBase are not permalinks.

N-Benzoyl-4-(4-chlorophenyl)-3-morpholinopyrrol-2-carboxylic acid, isobutyl ester

View entire compound with spectra: 1 NMR

N-Benzoyl-4-(4-chlorophenyl)-3-morpholinopyrrol-2-carboxylic acid, isobutyl ester
SpectraBase Compound ID BNCzV7Ui7BM
InChI InChI=1S/C26H27ClN2O4/c1-18(2)17-33-26(31)24-23(28-12-14-32-15-13-28)22(19-8-10-21(27)11-9-19)16-29(24)25(30)20-6-4-3-5-7-20/h3-11,16,18H,12-15,17H2,1-2H3
InChIKey ORTKNHXOSSLJCR-UHFFFAOYSA-N
Mol Weight 466.97 g/mol
Molecular Formula C26H27ClN2O4
Exact Mass 466.165935 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 11virs3YUT5
Name N-Benzoyl-4-(4-chlorophenyl)-3-morpholinopyrrol-2-carboxylic acid, isobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.165935053 u
Formula C26H27ClN2O4
InChI InChI=1S/C26H27ClN2O4/c1-18(2)17-33-26(31)24-23(28-12-14-32-15-13-28)22(19-8-10-21(27)11-9-19)16-29(24)25(30)20-6-4-3-5-7-20/h3-11,16,18H,12-15,17H2,1-2H3
InChIKey ORTKNHXOSSLJCR-UHFFFAOYSA-N
Molecular Weight 466.965 g/mol
SMILES C(=O)(N1C(=C(C(C2=CC=C(C=C2)Cl)=C1)N1CCOCC1)C(OCC(C)C)=O)C1=CC=CC=C1