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

*Links on SpectraBase are not permalinks.

1-[4-(Benzyloxy)phenyl]-4-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}piperazine

View entire compound with spectra: 2 NMR

1-[4-(Benzyloxy)phenyl]-4-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}piperazine
SpectraBase Compound ID G7WhzLY6Dyt
InChI InChI=1S/C28H25Cl2N3O3/c1-19-25(27(31-36-19)26-23(29)8-5-9-24(26)30)28(34)33-16-14-32(15-17-33)21-10-12-22(13-11-21)35-18-20-6-3-2-4-7-20/h2-13H,14-18H2,1H3
InChIKey LBNGKWHILJUGKJ-UHFFFAOYSA-N
Mol Weight 522.43 g/mol
Molecular Formula C28H25Cl2N3O3
Exact Mass 521.127297 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 CmkrVMr9qtg
Name 1-[4-(Benzyloxy)phenyl]-4-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 521.127297074 u
Formula C28H25Cl2N3O3
InChI InChI=1S/C28H25Cl2N3O3/c1-19-25(27(31-36-19)26-23(29)8-5-9-24(26)30)28(34)33-16-14-32(15-17-33)21-10-12-22(13-11-21)35-18-20-6-3-2-4-7-20/h2-13H,14-18H2,1H3
InChIKey LBNGKWHILJUGKJ-UHFFFAOYSA-N
Molecular Weight 522.432 g/mol
SMILES C=1(C(=NOC1C)C=1C(Cl)=CC=CC1Cl)C(N1CCN(CC1)C=1C=CC(OCC=2C=CC=CC2)=CC1)=O