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1-butanaminium, 4-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-, chloride
SpectraBase Compound ID LyEltqbA5pN
InChI InChI=1S/C11H14F3N3O2.ClH/c12-11(13,14)8-3-4-9(10(7-8)17(18)19)16-6-2-1-5-15;/h3-4,7,16H,1-2,5-6,15H2;1H
InChIKey JCUMCTUTJPBYDV-UHFFFAOYSA-N
Mol Weight 313.71 g/mol
Molecular Formula C11H15ClF3N3O2
Exact Mass 313.080489 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HraGU4xwgi0
Name 1-butanaminium, 4-[[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 313.080488922 u
Formula C11H15ClF3N3O2
InChI InChI=1S/C11H14F3N3O2.ClH/c12-11(13,14)8-3-4-9(10(7-8)17(18)19)16-6-2-1-5-15;/h3-4,7,16H,1-2,5-6,15H2;1H
InChIKey JCUMCTUTJPBYDV-UHFFFAOYSA-N
Molecular Weight 313.708 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7620
Solvent DMSO-d6
Source Vendor ID: NMR/9273568; Lab Info: LP; Lab Number: LP-0250963
Temperature 29.85 °C