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N-[2-Cyclohexyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
SpectraBase Compound ID KNNkzwTi1rz
InChI InChI=1S/C17H18F3N3/c18-17(19,20)13-7-8-14(12-5-2-1-3-6-12)15(11-13)23-16-21-9-4-10-22-16/h4,7-12H,1-3,5-6H2,(H,21,22,23)
InChIKey BHIKKUBEZYYRSV-UHFFFAOYSA-N
Mol Weight 321.35 g/mol
Molecular Formula C17H18F3N3
Exact Mass 321.145282 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPKiOZiBQ1O
Name N-[2-Cyclohexyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
Appearance White solid
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Exact Mass 321.145282081 u
Formula C17H18F3N3
InChI InChI=1S/C17H18F3N3/c18-17(19,20)13-7-8-14(12-5-2-1-3-6-12)15(11-13)23-16-21-9-4-10-22-16/h4,7-12H,1-3,5-6H2,(H,21,22,23)
InChIKey BHIKKUBEZYYRSV-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201510743
Molecular Weight 321.347 g/mol
Reported Formula C17H18F3N3
SMILES N(C=1N=CC=CN1)C=1C(=CC=C(C1)C(F)(F)F)C1CCCCC1
SPLASH splash10-000i-0093000000-75c42b776b924f2fd00c
Source of Spectrum ACI-55-SM29-5ha (DOI: 10.1002/anie.201510743)
Wiley ID 1895377