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1-(2,4,6-Trimethylphenyl)-2-amino-3-cyano-4,4-bis(trifluoromethyl)-6-methyl-1,4-dihydropyridine

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1-(2,4,6-Trimethylphenyl)-2-amino-3-cyano-4,4-bis(trifluoromethyl)-6-methyl-1,4-dihydropyridine
SpectraBase Compound ID KWwPLD89EMz
InChI InChI=1S/C18H17F6N3/c1-9-5-10(2)14(11(3)6-9)27-12(4)7-16(17(19,20)21,18(22,23)24)13(8-25)15(27)26/h5-7H,26H2,1-4H3
InChIKey WWJNKTIWIWDHKK-UHFFFAOYSA-N
Mol Weight 389.35 g/mol
Molecular Formula C18H17F6N3
Exact Mass 389.132667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cee3maqdNVe
Name 1-(2,4,6-Trimethylphenyl)-2-amino-3-cyano-4,4-bis(trifluoromethyl)-6-methyl-1,4-dihydropyridine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.132666537 u
Formula C18H17F6N3
InChI InChI=1S/C18H17F6N3/c1-9-5-10(2)14(11(3)6-9)27-12(4)7-16(17(19,20)21,18(22,23)24)13(8-25)15(27)26/h5-7H,26H2,1-4H3
InChIKey WWJNKTIWIWDHKK-UHFFFAOYSA-N
Molecular Weight 389.345 g/mol
SMILES NC1=C(C(C=C(C)N1c1c(C)cc(cc1C)C)(C(F)(F)F)C(F)(F)F)C#N