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N-[4-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)-1-pyridinyl]phenyl]acetamide
SpectraBase Compound ID 6qknl4kvN2e
InChI InChI=1S/C17H14F6N4O/c1-9-7-15(16(18,19)20,17(21,22)23)13(8-24)14(25)27(9)12-5-3-11(4-6-12)26-10(2)28/h3-7H,25H2,1-2H3,(H,26,28)
InChIKey MHQOMNCMWOTIJD-UHFFFAOYSA-N
Mol Weight 404.32 g/mol
Molecular Formula C17H14F6N4O
Exact Mass 404.10718 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 64kn4fngtzT
Name acetamide, N-[4-(2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)-1(4H)-pyridinyl)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 404.107180064 u
Formula C17H14F6N4O
InChI InChI=1S/C17H14F6N4O/c1-9-7-15(16(18,19)20,17(21,22)23)13(8-24)14(25)27(9)12-5-3-11(4-6-12)26-10(2)28/h3-7H,25H2,1-2H3,(H,26,28)
InChIKey MHQOMNCMWOTIJD-UHFFFAOYSA-N
Molecular Weight 404.316 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5765
Solvent DMSO-d6
Source Vendor ID: NMR/9263030; Lab Info: AU; Lab Number: AU-0000976