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2-({5-[(4-chlorobenzyl)sulfanyl]-4-cyano-3-isothiazolyl}sulfanyl)acetamide
SpectraBase Compound ID 3i0VNJDiBjI
InChI InChI=1S/C13H10ClN3OS3/c14-9-3-1-8(2-4-9)6-20-13-10(5-15)12(17-21-13)19-7-11(16)18/h1-4H,6-7H2,(H2,16,18)
InChIKey RFDZPPVMTUCUSZ-UHFFFAOYSA-N
Mol Weight 355.88 g/mol
Molecular Formula C13H10ClN3OS3
Exact Mass 354.967453 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2W1Q5rEmO4u
Name 2-({5-[(4-chlorobenzyl)sulfanyl]-4-cyano-3-isothiazolyl}sulfanyl)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/C13H10ClN3OS3/c14-9-3-1-8(2-4-9)6-20-13-10(5-15)12(17-21-13)19-7-11(16)18/h1-4H,6-7H2,(H2,16,18)
InChIKey RFDZPPVMTUCUSZ-UHFFFAOYSA-N
NMR Offset 13.9821
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_3012
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/5634030; IOH_ID: IOH-003013
Temperature 297 °C