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N-(2-n-Butyl-6-fluorophenyl)pyrimidin-2-amine
SpectraBase Compound ID D8kchjGTm0X
InChI InChI=1S/C14H16FN3/c1-2-3-6-11-7-4-8-12(15)13(11)18-14-16-9-5-10-17-14/h4-5,7-10H,2-3,6H2,1H3,(H,16,17,18)
InChIKey QKBIUEFPUNZPMI-UHFFFAOYSA-N
Mol Weight 245.3 g/mol
Molecular Formula C14H16FN3
Exact Mass 245.132826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IsvG3cATRL1
Name N-(2-n-Butyl-6-fluorophenyl)pyrimidin-2-amine
Appearance Yellow solid
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Exact Mass 245.132825690 u
Formula C14H16FN3
InChI InChI=1S/C14H16FN3/c1-2-3-6-11-7-4-8-12(15)13(11)18-14-16-9-5-10-17-14/h4-5,7-10H,2-3,6H2,1H3,(H,16,17,18)
InChIKey QKBIUEFPUNZPMI-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201510743
Molecular Weight 245.301 g/mol
Reported Formula C14H16FN3
SMILES N(C1=C(C=CC=C1CCCC)F)C1=NC=CC=N1
SPLASH splash10-014r-0390000000-c7173b71817de0dfcf37
Source of Spectrum ACI-55-SM7-3ba (DOI: 10.1002/anie.201510743)
Wiley ID 1895331