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N-(2-n-Butyl-4-chlorophenyl)pyrimidin-2-amine
SpectraBase Compound ID FThB5nAJSXe
InChI InChI=1S/C14H16ClN3/c1-2-3-5-11-10-12(15)6-7-13(11)18-14-16-8-4-9-17-14/h4,6-10H,2-3,5H2,1H3,(H,16,17,18)
InChIKey AJUCZCVIMUDCLB-UHFFFAOYSA-N
Mol Weight 261.76 g/mol
Molecular Formula C14H16ClN3
Exact Mass 261.103275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXEb3njzWB6
Name N-(2-n-Butyl-4-chlorophenyl)pyrimidin-2-amine
Appearance Yellow solid
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Exact Mass 261.103275227 u
Formula C14H16ClN3
InChI InChI=1S/C14H16ClN3/c1-2-3-5-11-10-12(15)6-7-13(11)18-14-16-8-4-9-17-14/h4,6-10H,2-3,5H2,1H3,(H,16,17,18)
InChIKey AJUCZCVIMUDCLB-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201510743
Reported Formula C14H16ClN3
SMILES N(C=1N=CC=CN1)C=1C(=CC(=CC1)Cl)CCCC
SPLASH splash10-001i-0090000000-5b4d712cb3a6e0e88298
Source of Spectrum ACI-55-SM15-3ma (DOI: 10.1002/anie.201510743)
Wiley ID 1895355