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2-N-propan-2-yl-4-N,6-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
SpectraBase Compound ID 6C2oXaZyZrR
InChI InChI=1S/C20H18F6N6/c1-11(2)27-16-30-17(28-14-7-3-5-12(9-14)19(21,22)23)32-18(31-16)29-15-8-4-6-13(10-15)20(24,25)26/h3-11H,1-2H3,(H3,27,28,29,30,31,32)
InChIKey CIKFCEHKCKOWGD-UHFFFAOYSA-N
Mol Weight 456.4 g/mol
Molecular Formula C20H18F6N6
Exact Mass 456.149714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1FhHpMj4J70
Name 2-N-Propan-2-yl-4-N,6-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.149713582 u
Formula C20H18F6N6
InChI InChI=1S/C20H18F6N6/c1-11(2)27-16-30-17(28-14-7-3-5-12(9-14)19(21,22)23)32-18(31-16)29-15-8-4-6-13(10-15)20(24,25)26/h3-11H,1-2H3,(H3,27,28,29,30,31,32)
InChIKey CIKFCEHKCKOWGD-UHFFFAOYSA-N
Molecular Weight 456.396 g/mol
SMILES C1(=NC(=NC(=N1)NC=1C=C(C(F)(F)F)C=CC1)NC(C)C)NC=1C=C(C(F)(F)F)C=CC1