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isobutyl (2Z,3E)-2-[4-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-3-thioxo-1,2,4-thiadiazolidin-5-ylidene]-3-[(E)-propylimino]butanoate
SpectraBase Compound ID Hh50Duifcjf
InChI InChI=1S/C25H26Cl2FN3O2S2/c1-5-12-29-16(4)22(24(32)33-14-15(2)3)23-30(19-10-11-20(26)21(27)13-19)25(34)31(35-23)18-8-6-17(28)7-9-18/h6-11,13,15H,5,12,14H2,1-4H3/b23-22-,29-16+
InChIKey NGZHIRHMEHXIBC-GTUBDFQJSA-N
Mol Weight 554.53 g/mol
Molecular Formula C25H26Cl2FN3O2S2
Exact Mass 553.082753 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jv5cit5CFKx
Name isobutyl (2Z,3E)-2-[4-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-3-thioxo-1,2,4-thiadiazolidin-5-ylidene]-3-[(E)-propylimino]butanoate
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/C25H26Cl2FN3O2S2/c1-5-12-29-16(4)22(24(32)33-14-15(2)3)23-30(19-10-11-20(26)21(27)13-19)25(34)31(35-23)18-8-6-17(28)7-9-18/h6-11,13,15H,5,12,14H2,1-4H3/b23-22-,29-16+
InChIKey NGZHIRHMEHXIBC-GTUBDFQJSA-N
NMR Offset 16.5783
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_SBI_36227_8704
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: D36281; Labnumber: LRP02-0235; SBI_ID: SBI-008707
Synonyms isobutyl 2-[4-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-3-thioxo-1,2,4-thiadiazolidin-5-ylidene]-3-[propylimino]butanoate
Temperature 315 °C