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4-[3-(4-cyano-2-nitrophenoxy)-5-methylphenoxy]-3-nitrobenzonitrile
SpectraBase Compound ID 3W1HKVYGa0N
InChI InChI=1S/C21H12N4O6/c1-13-6-16(30-20-4-2-14(11-22)8-18(20)24(26)27)10-17(7-13)31-21-5-3-15(12-23)9-19(21)25(28)29/h2-10H,1H3
InChIKey IDBNPJPEWUVRMI-UHFFFAOYSA-N
Mol Weight 416.35 g/mol
Molecular Formula C21H12N4O6
Exact Mass 416.075684 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FLAyIbK3COo
Name 4-[3-(4-cyano-2-nitrophenoxy)-5-methylphenoxy]-3-nitrobenzonitrile
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/C21H12N4O6/c1-13-6-16(30-20-4-2-14(11-22)8-18(20)24(26)27)10-17(7-13)31-21-5-3-15(12-23)9-19(21)25(28)29/h2-10H,1H3
InChIKey IDBNPJPEWUVRMI-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_404
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: ZI/8047677; Labnumber: AI-1406302
Temperature 303 °C