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(2E,5Z)-3-butyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-[(4-phenoxyphenyl)imino]-1,3-thiazolidin-4-one
SpectraBase Compound ID K9bjEmRRE9K
InChI InChI=1S/C27H24ClN3O2S2/c1-3-4-16-31-25(32)24(26-30(2)22-17-18(28)10-15-23(22)34-26)35-27(31)29-19-11-13-21(14-12-19)33-20-8-6-5-7-9-20/h5-15,17H,3-4,16H2,1-2H3/b26-24-,29-27+
InChIKey PTKZRQFEIJXCDE-BOFVJWIKSA-N
Mol Weight 522.08 g/mol
Molecular Formula C27H24ClN3O2S2
Exact Mass 521.099847 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CthQJjccZxt
Name (2E,5Z)-3-butyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-[(4-phenoxyphenyl)imino]-1,3-thiazolidin-4-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H24ClN3O2S2/c1-3-4-16-31-25(32)24(26-30(2)22-17-18(28)10-15-23(22)34-26)35-27(31)29-19-11-13-21(14-12-19)33-20-8-6-5-7-9-20/h5-15,17H,3-4,16H2,1-2H3/b26-24-,29-27+
InChIKey PTKZRQFEIJXCDE-BOFVJWIKSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5882
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 62422; UBI_ID: UBI-005884
Synonyms 3-butyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-[(4-phenoxyphenyl)imino]-1,3-thiazolidin-4-one
Temperature 313 °C