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4-[(2Z)-6-amino-5-cyano-2-ethylidene-3-methyl-4,4-bis(trifluoromethyl)-3H-pyridin-1-yl]benzamide
SpectraBase Compound ID 7Hf3iArhhka
InChI InChI=1S/C18H16F6N4O/c1-3-13-9(2)16(17(19,20)21,18(22,23)24)12(8-25)14(26)28(13)11-6-4-10(5-7-11)15(27)29/h3-7,9H,26H2,1-2H3,(H2,27,29)/b13-3-
InChIKey JBYIIUHIBQODFE-DXNYSGJVSA-N
Mol Weight 418.34 g/mol
Molecular Formula C18H16F6N4O
Exact Mass 418.12283 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7YLbV9cJRLI
Name benzamide, 4-[(2Z)-6-amino-5-cyano-2-ethylidene-3,4-dihydro-3-methyl-4,4-bis(trifluoromethyl)pyridinyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.122830128 u
Formula C18H16F6N4O
InChI InChI=1S/C18H16F6N4O/c1-3-13-9(2)16(17(19,20)21,18(22,23)24)12(8-25)14(26)28(13)11-6-4-10(5-7-11)15(27)29/h3-7,9H,26H2,1-2H3,(H2,27,29)/b13-3-
InChIKey JBYIIUHIBQODFE-DXNYSGJVSA-N
Molecular Weight 418.343 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7563
Solvent DMSO-d6
Source Vendor ID: NMR/9313146; Lab Info: AU; Lab Number: AU-T000427
Temperature 29.85 °C