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N-{2-Fluoro-6-(p-tolylthio)phenyl}pyrimidin-2-amine
SpectraBase Compound ID KltoQ4S39or
InChI InChI=1S/C17H14FN3S/c1-12-6-8-13(9-7-12)22-15-5-2-4-14(18)16(15)21-17-19-10-3-11-20-17/h2-11H,1H3,(H,19,20,21)
InChIKey PIUDBZSEBAGDQI-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C17H14FN3S
Exact Mass 311.089247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33gZuQ4BRcr
Name N-{2-Fluoro-6-(p-tolylthio)phenyl}pyrimidin-2-amine
Appearance White solid
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Exact Mass 311.089246800 u
Formula C17H14FN3S
InChI InChI=1S/C17H14FN3S/c1-12-6-8-13(9-7-12)22-15-5-2-4-14(18)16(15)21-17-19-10-3-11-20-17/h2-11H,1H3,(H,19,20,21)
InChIKey PIUDBZSEBAGDQI-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201603092
Molecular Weight 311.378 g/mol
Reported Formula C17H14FN3S
SMILES N(C1=C(F)C=CC=C1SC1=CC=C(C=C1)C)C1=NC=CC=N1
SPLASH splash10-000i-0932000000-7acf44c41a46412920be
Source of Spectrum QE-22-SM13-3ab (DOI: 10.1002/chem.201603092)
Wiley ID 1905114