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1,3-butadiene-1,1-diamine, 3,4,4-trichloro-N~1~-(4-fluorophenyl)-N~1~-(5-methyl-2-pyridinyl)-2-nitro-, (1E)-
SpectraBase Compound ID DIixiLOgQoC
InChI InChI=1S/C16H12Cl3FN4O2/c1-9-2-7-12(21-8-9)23-16(14(24(25)26)13(17)15(18)19)22-11-5-3-10(20)4-6-11/h2-8,22H,1H3,(H,21,23)/b16-14+
InChIKey GNROGVFQUNLOEP-JQIJEIRASA-N
Mol Weight 417.66 g/mol
Molecular Formula C16H12Cl3FN4O2
Exact Mass 416.000987 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AC4s13Out4i
Name 1,3-butadiene-1,1-diamine, 3,4,4-trichloro-N~1~-(4-fluorophenyl)-N~1~-(5-methyl-2-pyridinyl)-2-nitro-, (1E)-
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/C16H12Cl3FN4O2/c1-9-2-7-12(21-8-9)23-16(14(24(25)26)13(17)15(18)19)22-11-5-3-10(20)4-6-11/h2-8,22H,1H3,(H,21,23)/b16-14+
InChIKey GNROGVFQUNLOEP-JQIJEIRASA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_3179
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: NMR/11278844