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

*Links on SpectraBase are not permalinks.

2-[(4-cyano-3-{[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl}-5-isothiazolyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide

View entire compound with spectra: 1 NMR

2-[(4-cyano-3-{[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl}-5-isothiazolyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
SpectraBase Compound ID 2KLc0FkPwyi
InChI InChI=1S/C22H18I2N4O2S3/c1-12-7-14(23)3-5-17(12)26-19(29)10-31-21-16(9-25)22(33-28-21)32-11-20(30)27-18-6-4-15(24)8-13(18)2/h3-8H,10-11H2,1-2H3,(H,26,29)(H,27,30)
InChIKey FXHGSUCJQMSAOK-UHFFFAOYSA-N
Mol Weight 720.4 g/mol
Molecular Formula C22H18I2N4O2S3
Exact Mass 719.868129 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 FzSlgrWcRyb
Name 2-[(4-cyano-3-{[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl}-5-isothiazolyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
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/C22H18I2N4O2S3/c1-12-7-14(23)3-5-17(12)26-19(29)10-31-21-16(9-25)22(33-28-21)32-11-20(30)27-18-6-4-15(24)8-13(18)2/h3-8H,10-11H2,1-2H3,(H,26,29)(H,27,30)
InChIKey FXHGSUCJQMSAOK-UHFFFAOYSA-N
NMR Offset 13.9821
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_3827
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: TSH/5633097; IOH_ID: IOH-003828
Temperature 297 °C