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N-(4-Chloro-2-cyclohexylphenyl)pyrimidin-2-amine
SpectraBase Compound ID DjOIzVJdt26
InChI InChI=1S/C16H18ClN3/c17-13-7-8-15(20-16-18-9-4-10-19-16)14(11-13)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H,18,19,20)
InChIKey PHYXDYIGKQALBJ-UHFFFAOYSA-N
Mol Weight 287.79 g/mol
Molecular Formula C16H18ClN3
Exact Mass 287.118925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7O8wwuXCWus
Name N-(4-Chloro-2-cyclohexylphenyl)pyrimidin-2-amine
Appearance White solid
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Exact Mass 287.118925292 u
Formula C16H18ClN3
InChI InChI=1S/C16H18ClN3/c17-13-7-8-15(20-16-18-9-4-10-19-16)14(11-13)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H,18,19,20)
InChIKey PHYXDYIGKQALBJ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201510743
Quality 56
Reported Formula C16H18ClN3
SMILES N(C=1N=CC=CN1)C=1C(=CC(=CC1)Cl)C1CCCCC1
SPLASH splash10-0udr-0090000000-fc13c901e6a304e147b6
Source of Spectrum ACI-55-SM34-5ma (DOI: 10.1002/anie.201510743)
Wiley ID 1895382