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BIS-[2-(3-META-CHLOROPHENYL-5-ETHOXYCARBONYL-1,3,4-THIADIAZOL-2-YLIDENEAMINO)-PHENYL]-DISULFIDE
SpectraBase Compound ID 6m77qUIYoIL
InChI InChI=1S/C34H26Cl2N6O4S4/c1-3-45-31(43)29-39-41(23-13-9-11-21(35)19-23)33(47-29)37-25-15-5-7-17-27(25)49-50-28-18-8-6-16-26(28)38-34-42(24-14-10-12-22(36)20-24)40-30(48-34)32(44)46-4-2/h5-20H,3-4H2,1-2H3/b37-33-,38-34-
InChIKey YDEODJYUDNOURN-ZHTVLWRQSA-N
Mol Weight 781.8 g/mol
Molecular Formula C34H26Cl2N6O4S4
Exact Mass 780.027543 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 41k9cLAzgWV
Name ethyl (5Z)-4-(3-chlorophenyl)-5-{[2-({2-[((2Z)-3-(3-chlorophenyl)-5-(ethoxycarbonyl)-1,3,4-thiadiazol-2(3H)-ylidene)amino]phenyl}disulfanyl)phenyl]imino}-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
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/C34H26Cl2N6O4S4/c1-3-45-31(43)29-39-41(23-13-9-11-21(35)19-23)33(47-29)37-25-15-5-7-17-27(25)49-50-28-18-8-6-16-26(28)38-34-42(24-14-10-12-22(36)20-24)40-30(48-34)32(44)46-4-2/h5-20H,3-4H2,1-2H3/b37-33-,38-34-
InChIKey YDEODJYUDNOURN-ZHTVLWRQSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6190
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: NMR/11242571; Labnumber: LP-0302505; IOH_ID: IOH-006191
Synonyms ethyl 4-(3-chlorophenyl)-5-{[2-({2-[(3-(3-chlorophenyl)-5-(ethoxycarbonyl)-1,3,4-thiadiazol-2(3H)-ylidene)amino]phenyl}disulfanyl)phenyl]imino}-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate