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

*Links on SpectraBase are not permalinks.

3-{[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonyl}-8-ethoxy-2H-chromen-2-one

View entire compound with spectra: 2 NMR

3-{[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonyl}-8-ethoxy-2H-chromen-2-one
SpectraBase Compound ID 7SD8d9rGFuB
InChI InChI=1S/C23H23ClN2O4/c1-3-29-20-6-4-5-16-13-18(23(28)30-21(16)20)22(27)26-11-9-25(10-12-26)19-14-17(24)8-7-15(19)2/h4-8,13-14H,3,9-12H2,1-2H3
InChIKey IHHKHNMWFPJJQV-UHFFFAOYSA-N
Mol Weight 426.9 g/mol
Molecular Formula C23H23ClN2O4
Exact Mass 426.134635 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 C2xOgH2vPF9
Name 3-{[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]carbonyl}-8-ethoxy-2H-chromen-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.134634925 u
Formula C23H23ClN2O4
InChI InChI=1S/C23H23ClN2O4/c1-3-29-20-6-4-5-16-13-18(23(28)30-21(16)20)22(27)26-11-9-25(10-12-26)19-14-17(24)8-7-15(19)2/h4-8,13-14H,3,9-12H2,1-2H3
InChIKey IHHKHNMWFPJJQV-UHFFFAOYSA-N
Molecular Weight 426.900 g/mol
SMILES C=1(C(OC=2C(C1)=CC=CC2OCC)=O)C(N1CCN(C=2C=C(C=CC2C)Cl)CC1)=O