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2-(4-Acetamidophenylmethyl) 4,6-ditrifluoromethyl pyrimidine
SpectraBase Compound ID JBTMhID9BpS
InChI InChI=1S/C15H11F6N3O/c1-8(25)22-10-4-2-9(3-5-10)6-13-23-11(14(16,17)18)7-12(24-13)15(19,20)21/h2-5,7H,6H2,1H3,(H,22,25)
InChIKey IVXIOYOSCNZSIH-UHFFFAOYSA-N
Mol Weight 363.26 g/mol
Molecular Formula C15H11F6N3O
Exact Mass 363.080631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HuhKvnhplkg
Name 2-(4-Acetamidophenylmethyl) 4,6-ditrifluoromethyl pyrimidine
Alternate Name(s) N-(4-{[4,6-bis(trifluoromethyl)-2-pyrimidinyl]methyl}phenyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11F6N3O
InChI InChI=1S/C15H11F6N3O/c1-8(25)22-10-4-2-9(3-5-10)6-13-23-11(14(16,17)18)7-12(24-13)15(19,20)21/h2-5,7H,6H2,1H3,(H,22,25)
InChIKey IVXIOYOSCNZSIH-UHFFFAOYSA-N
Molecular Weight 363.263 g/mol
SMILES N(C(=O)C)c1ccc(Cc2nc(C(F)(F)F)cc(C(F)(F)F)n2)cc1
SPLASH splash10-0229-0009000000-60a175348d9ad5a3ade1
Source of Spectrum BS-5-3-0
Wiley ID 1350124