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1H-Pyrrole-2-carboxylic acid, 1-(3-phenylpropenoyl)-3-morpholino-4-(4-chlorophenyl)-

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1H-Pyrrole-2-carboxylic acid, 1-(3-phenylpropenoyl)-3-morpholino-4-(4-chlorophenyl)-
SpectraBase Compound ID 3HtC02BnB0G
InChI InChI=1S/C25H23ClN2O4/c1-31-25(30)24-23(27-13-15-32-16-14-27)21(19-8-10-20(26)11-9-19)17-28(24)22(29)12-7-18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3/b12-7+
InChIKey RMBHRHSJDZRFFH-KPKJPENVSA-N
Mol Weight 450.92 g/mol
Molecular Formula C25H23ClN2O4
Exact Mass 450.134635 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1SWScMReQRw
Name 1H-Pyrrole-2-carboxylic acid, 1-(3-phenylpropenoyl)-3-morpholino-4-(4-chlorophenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.134634925 u
Formula C25H23ClN2O4
InChI InChI=1S/C25H23ClN2O4/c1-31-25(30)24-23(27-13-15-32-16-14-27)21(19-8-10-20(26)11-9-19)17-28(24)22(29)12-7-18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3/b12-7+
InChIKey RMBHRHSJDZRFFH-KPKJPENVSA-N
Molecular Weight 450.922 g/mol
SMILES C=1N(C(C(OC)=O)=C(C1C1=CC=C(C=C1)Cl)N1CCOCC1)C(\C=C\C1=CC=CC=C1)=O