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1,4-butanediamine, N~1~-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N~4~-(2-nitrophenyl)-
SpectraBase Compound ID EXLWB4LNg2F
InChI InChI=1S/C17H16F3N5O6/c18-17(19,20)11-9-14(24(28)29)16(15(10-11)25(30)31)22-8-4-3-7-21-12-5-1-2-6-13(12)23(26)27/h1-2,5-6,9-10,21-22H,3-4,7-8H2
InChIKey LDBGPNWMVUCZPY-UHFFFAOYSA-N
Mol Weight 443.34 g/mol
Molecular Formula C17H16F3N5O6
Exact Mass 443.105268 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jxr8lJEs7u1
Name 1,4-butanediamine, N~1~-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N~4~-(2-nitrophenyl)-
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/C17H16F3N5O6/c18-17(19,20)11-9-14(24(28)29)16(15(10-11)25(30)31)22-8-4-3-7-21-12-5-1-2-6-13(12)23(26)27/h1-2,5-6,9-10,21-22H,3-4,7-8H2
InChIKey LDBGPNWMVUCZPY-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_1792
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/9223549; Labnumber: LP-KV00900
Temperature 297 °C