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

*Links on SpectraBase are not permalinks.

(5Z)-2-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazol-4(5H)-one

View entire compound with spectra: 2 NMR

(5Z)-2-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazol-4(5H)-one
SpectraBase Compound ID HkvtfsOMEfA
InChI InChI=1S/C22H22ClN3O3S/c1-14-3-5-16(13-17(14)23)25-7-9-26(10-8-25)22-24-21(28)20(30-22)12-15-4-6-18(27)19(11-15)29-2/h3-6,11-13,27H,7-10H2,1-2H3/b20-12-
InChIKey XKJVVZRFJQINFN-NDENLUEZSA-N
Mol Weight 443.95 g/mol
Molecular Formula C22H22ClN3O3S
Exact Mass 443.10704 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 7zkcm7eBqmU
Name (5Z)-2-[4-(3-Chloro-4-methylphenyl)-1-piperazinyl]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazol-4(5H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.107040451 u
Formula C22H22ClN3O3S
InChI InChI=1S/C22H22ClN3O3S/c1-14-3-5-16(13-17(14)23)25-7-9-26(10-8-25)22-24-21(28)20(30-22)12-15-4-6-18(27)19(11-15)29-2/h3-6,11-13,27H,7-10H2,1-2H3/b20-12-
InChIKey XKJVVZRFJQINFN-NDENLUEZSA-N
Molecular Weight 443.949 g/mol
SMILES OC=1C=CC(\C=C\2C(N=C(S2)N2CCN(CC2)C2=CC(Cl)=C(C=C2)C)=O)=CC1OC