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

*Links on SpectraBase are not permalinks.
isobutyl (2Z,3E)-2-[4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene]-3-[(E)-propylimino]butanoate
SpectraBase Compound ID 1Gjzf1owwMW
InChI InChI=1S/C25H27Cl2N3O2S2/c1-5-13-28-17(4)22(24(31)32-15-16(2)3)23-29(19-11-12-20(26)21(27)14-19)25(33)30(34-23)18-9-7-6-8-10-18/h6-12,14,16H,5,13,15H2,1-4H3/b23-22-,28-17+
InChIKey MNTXCHPUBBXVEQ-OAZWPOJRSA-N
Mol Weight 536.54 g/mol
Molecular Formula C25H27Cl2N3O2S2
Exact Mass 535.092175 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CgrIGgpkCwF
Name isobutyl (2Z,3E)-2-[4-(3,4-dichlorophenyl)-2-phenyl-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/C25H27Cl2N3O2S2/c1-5-13-28-17(4)22(24(31)32-15-16(2)3)23-29(19-11-12-20(26)21(27)14-19)25(33)30(34-23)18-9-7-6-8-10-18/h6-12,14,16H,5,13,15H2,1-4H3/b23-22-,28-17+
InChIKey MNTXCHPUBBXVEQ-OAZWPOJRSA-N
NMR Offset 16.5783
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_SBI_36227_8703
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: D36280; Labnumber: LRP02-0234; SBI_ID: SBI-008706
Synonyms isobutyl 2-[4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene]-3-[propylimino]butanoate
Temperature 315 °C