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2-Amino-1-(3-chloro-4-fluorophenyl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-3-pyridinecarbonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Amino-1-(3-chloro-4-fluorophenyl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-3-pyridinecarbonitrile
SpectraBase Compound ID HD2IAR8UoSb
InChI InChI=1S/C15H9ClF7N3/c1-7-5-13(14(18,19)20,15(21,22)23)9(6-24)12(25)26(7)8-2-3-11(17)10(16)4-8/h2-5H,25H2,1H3
InChIKey AGAXBNAKLUPOKM-UHFFFAOYSA-N
Mol Weight 399.7 g/mol
Molecular Formula C15H9ClF7N3
Exact Mass 399.037322 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EFWVFllXOFO
Name 3-pyridinecarbonitrile, 2-amino-1-(3-chloro-4-fluorophenyl)-1,4-dihydro-6-methyl-4,4-bis(trifluoromethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.037322143 u
Formula C15H9ClF7N3
InChI InChI=1S/C15H9ClF7N3/c1-7-5-13(14(18,19)20,15(21,22)23)9(6-24)12(25)26(7)8-2-3-11(17)10(16)4-8/h2-5H,25H2,1H3
InChIKey AGAXBNAKLUPOKM-UHFFFAOYSA-N
Molecular Weight 399.700 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4960
Solvent DMSO-d6
Source Vendor ID: NMR/9243352; Lab Info: AU; Lab Number: AU-0000787