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1,6-hexanediamine, N~1~-(2-chloro-4-nitrophenyl)-N~6~-[2,6-dinitro-4-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 8xxYwMiwHjA
InChI InChI=1S/C19H19ClF3N5O6/c20-14-11-13(26(29)30)5-6-15(14)24-7-3-1-2-4-8-25-18-16(27(31)32)9-12(19(21,22)23)10-17(18)28(33)34/h5-6,9-11,24-25H,1-4,7-8H2
InChIKey TWYKOUFMVQUCDY-UHFFFAOYSA-N
Mol Weight 505.84 g/mol
Molecular Formula C19H19ClF3N5O6
Exact Mass 505.097596 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1yOetGIJ7NJ
Name 1,6-hexanediamine, N~1~-(2-chloro-4-nitrophenyl)-N~6~-[2,6-dinitro-4-(trifluoromethyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 505.097595535 u
Formula C19H19ClF3N5O6
InChI InChI=1S/C19H19ClF3N5O6/c20-14-11-13(26(29)30)5-6-15(14)24-7-3-1-2-4-8-25-18-16(27(31)32)9-12(19(21,22)23)10-17(18)28(33)34/h5-6,9-11,24-25H,1-4,7-8H2
InChIKey TWYKOUFMVQUCDY-UHFFFAOYSA-N
Molecular Weight 505.838 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9261
Solvent DMSO-d6
Source Vendor ID: NMR/10240339; Lab Info: LP; Lab Number: LP-2501241
Temperature 29.85 °C