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1-hexanaminium, 6-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-, chloride
SpectraBase Compound ID HEtQxnRIqEl
InChI InChI=1S/C13H18F3N3O2.ClH/c14-13(15,16)10-5-6-11(12(9-10)19(20)21)18-8-4-2-1-3-7-17;/h5-6,9,18H,1-4,7-8,17H2;1H
InChIKey LPZMRHQQZUJCIK-UHFFFAOYSA-N
Mol Weight 341.76 g/mol
Molecular Formula C13H19ClF3N3O2
Exact Mass 341.111789 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9SGZJiidVFy
Name 1-hexanaminium, 6-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-, chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.111789051 u
Formula C13H19ClF3N3O2
InChI InChI=1S/C13H18F3N3O2.ClH/c14-13(15,16)10-5-6-11(12(9-10)19(20)21)18-8-4-2-1-3-7-17;/h5-6,9,18H,1-4,7-8,17H2;1H
InChIKey LPZMRHQQZUJCIK-UHFFFAOYSA-N
Molecular Weight 341.762 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7068
Solvent DMSO-d6
Source Vendor ID: NMR/10220662; Lab Info: LP; Lab Number: LP-2501136
Temperature 23.85 °C