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1,2-ethanediamine, N~1~-(4-chloro-2-nitrophenyl)-N~2~-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N~2~-ethyl-
SpectraBase Compound ID CE0StkU8RYh
InChI InChI=1S/C17H15ClF3N5O6/c1-2-23(6-5-22-12-4-3-11(18)9-13(12)24(27)28)16-14(25(29)30)7-10(17(19,20)21)8-15(16)26(31)32/h3-4,7-9,22H,2,5-6H2,1H3
InChIKey NATVMZAAPFQVLM-UHFFFAOYSA-N
Mol Weight 477.78 g/mol
Molecular Formula C17H15ClF3N5O6
Exact Mass 477.066295 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FNsllamIvJy
Name 1,2-ethanediamine, N~1~-(4-chloro-2-nitrophenyl)-N~2~-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N~2~-ethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 477.066295406 u
Formula C17H15ClF3N5O6
InChI InChI=1S/C17H15ClF3N5O6/c1-2-23(6-5-22-12-4-3-11(18)9-13(12)24(27)28)16-14(25(29)30)7-10(17(19,20)21)8-15(16)26(31)32/h3-4,7-9,22H,2,5-6H2,1H3
InChIKey NATVMZAAPFQVLM-UHFFFAOYSA-N
Molecular Weight 477.784 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7038
Solvent DMSO-d6
Source Vendor ID: NMR/10220623; Lab Info: LP; Lab Number: LP-2501094
Temperature 23.85 °C