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N-[2-chloro-4-({[(3,5-dimethoxybenzoyl)amino]carbothioyl}amino)phenyl]-2-furamide
SpectraBase Compound ID 3KGBpNSIyeT
InChI InChI=1S/C21H18ClN3O5S/c1-28-14-8-12(9-15(11-14)29-2)19(26)25-21(31)23-13-5-6-17(16(22)10-13)24-20(27)18-4-3-7-30-18/h3-11H,1-2H3,(H,24,27)(H2,23,25,26,31)
InChIKey XIUAXQQMRQNIPQ-UHFFFAOYSA-N
Mol Weight 459.9 g/mol
Molecular Formula C21H18ClN3O5S
Exact Mass 459.06557 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kl1Iilj5afA
Name N-[2-chloro-4-({[(3,5-dimethoxybenzoyl)amino]carbothioyl}amino)phenyl]-2-furamide
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/C21H18ClN3O5S/c1-28-14-8-12(9-15(11-14)29-2)19(26)25-21(31)23-13-5-6-17(16(22)10-13)24-20(27)18-4-3-7-30-18/h3-11H,1-2H3,(H,24,27)(H2,23,25,26,31)
InChIKey XIUAXQQMRQNIPQ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24985
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: D49367; Labnumber: SPMOS1-26069; SBI_ID: SBI-024989
Temperature 306 °C