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

*Links on SpectraBase are not permalinks.
N-Carboxybutyl-4-(4-methylphenyl)-3-morpholinopyrrol-2-carboxylic acid, ethyl ester
SpectraBase Compound ID 8rOLv6olIil
InChI InChI=1S/C23H30N2O5/c1-4-6-13-30-23(27)25-16-19(18-9-7-17(3)8-10-18)20(21(25)22(26)29-5-2)24-11-14-28-15-12-24/h7-10,16H,4-6,11-15H2,1-3H3
InChIKey FFMCZTRKWHSXCM-UHFFFAOYSA-N
Mol Weight 414.5 g/mol
Molecular Formula C23H30N2O5
Exact Mass 414.215472 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 JEgnEsf6pf7
Name N-Carboxybutyl-4-(4-methylphenyl)-3-morpholinopyrrol-2-carboxylic acid, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.215472069 u
Formula C23H30N2O5
InChI InChI=1S/C23H30N2O5/c1-4-6-13-30-23(27)25-16-19(18-9-7-17(3)8-10-18)20(21(25)22(26)29-5-2)24-11-14-28-15-12-24/h7-10,16H,4-6,11-15H2,1-3H3
InChIKey FFMCZTRKWHSXCM-UHFFFAOYSA-N
Molecular Weight 414.502 g/mol
SMILES C=1N(C(C(OCC)=O)=C(C1C1=CC=C(C=C1)C)N1CCOCC1)C(OCCCC)=O