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2-methoxy-4-((E)-{[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazono}methyl)phenyl acetate
SpectraBase Compound ID kUwFCPygzV
InChI InChI=1S/C22H22N4O4S3/c1-14-4-6-16(7-5-14)12-31-21-25-26-22(33-21)32-13-20(28)24-23-11-17-8-9-18(30-15(2)27)19(10-17)29-3/h4-11H,12-13H2,1-3H3,(H,24,28)/b23-11+
InChIKey JQGDTNBIWKPWKO-FOKLQQMPSA-N
Mol Weight 502.62 g/mol
Molecular Formula C22H22N4O4S3
Exact Mass 502.080319 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3o7M3Pj3DMy
Name 2-methoxy-4-((E)-{[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazono}methyl)phenyl acetate
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/C22H22N4O4S3/c1-14-4-6-16(7-5-14)12-31-21-25-26-22(33-21)32-13-20(28)24-23-11-17-8-9-18(30-15(2)27)19(10-17)29-3/h4-11H,12-13H2,1-3H3,(H,24,28)/b23-11+
InChIKey JQGDTNBIWKPWKO-FOKLQQMPSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_607
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: C24274; Labnumber: UGRES-05716; SBI_ID: SBI-000609
Synonyms 2-methoxy-4-({[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazono}methyl)phenyl acetate
Temperature 308 °C