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

*Links on SpectraBase are not permalinks.

Ethyl (5E)-5-{[(E)-2-({2-[((2E)-5-(ethoxycarbonyl)-3-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)amino]ethyl}disulfanyl)ethyl]imino}-4-phenyl-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Ethyl (5E)-5-{[(E)-2-({2-[((2E)-5-(ethoxycarbonyl)-3-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)amino]ethyl}disulfanyl)ethyl]imino}-4-phenyl-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
SpectraBase Compound ID KyV8oCP98Oz
InChI InChI=1S/C26H28N6O4S4/c1-3-35-23(33)21-29-31(19-11-7-5-8-12-19)25(39-21)27-15-17-37-38-18-16-28-26-32(20-13-9-6-10-14-20)30-22(40-26)24(34)36-4-2/h5-14H,3-4,15-18H2,1-2H3/b27-25+,28-26+
InChIKey KKDBCOIFAWZBFV-NBHCHVEOSA-N
Mol Weight 616.8 g/mol
Molecular Formula C26H28N6O4S4
Exact Mass 616.105488 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 B6JG2T5jtrV
Name 1,3,4-thiadiazole-2-carboxylic acid, 5-[[(E)-2-[[2-[((2E)-5-(ethoxycarbonyl)-3-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)amino]ethyl]dithio]ethyl]imino]-4,5-dihydro-4-phenyl-, ethyl ester, (5E)-
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/C26H28N6O4S4/c1-3-35-23(33)21-29-31(19-11-7-5-8-12-19)25(39-21)27-15-17-37-38-18-16-28-26-32(20-13-9-6-10-14-20)30-22(40-26)24(34)36-4-2/h5-14H,3-4,15-18H2,1-2H3/b27-25+,28-26+
InChIKey KKDBCOIFAWZBFV-NBHCHVEOSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2973
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/12225182; Labnumber: LP-0302811