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1,4-benzenediamine, N~1~-[(E)-[2,4-dinitro-6-(phenylthio)phenyl]methylidene]-N~4~,N~4~-dimethyl-
SpectraBase Compound ID IuVh1fESofi
InChI InChI=1S/C21H18N4O4S/c1-23(2)16-10-8-15(9-11-16)22-14-19-20(25(28)29)12-17(24(26)27)13-21(19)30-18-6-4-3-5-7-18/h3-14H,1-2H3/b22-14+
InChIKey KQUUMQGMHUSWTM-HYARGMPZSA-N
Mol Weight 422.46 g/mol
Molecular Formula C21H18N4O4S
Exact Mass 422.104876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ELoHmIEQJGi
Name 1,4-benzenediamine, N~1~-[(E)-[2,4-dinitro-6-(phenylthio)phenyl]methylidene]-N~4~,N~4~-dimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.104876246 u
Formula C21H18N4O4S
InChI InChI=1S/C21H18N4O4S/c1-23(2)16-10-8-15(9-11-16)22-14-19-20(25(28)29)12-17(24(26)27)13-21(19)30-18-6-4-3-5-7-18/h3-14H,1-2H3/b22-14+
InChIKey KQUUMQGMHUSWTM-HYARGMPZSA-N
Molecular Weight 422.459 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_817
Solvent DMSO-d6
Source Vendor ID: NMR/8325568; Lab Info: LP; Lab Number: LP-T000005
Temperature 23.85 °C