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N-{3-Fluoro-2,6-bis(phenylthio)phenyl}pyrimidin-2-amine
SpectraBase Compound ID 6IGxK3o8CBD
InChI InChI=1S/C22H16FN3S2/c23-18-12-13-19(27-16-8-3-1-4-9-16)20(26-22-24-14-7-15-25-22)21(18)28-17-10-5-2-6-11-17/h1-15H,(H,24,25,26)
InChIKey DEBFKQXWEZFRQT-UHFFFAOYSA-N
Mol Weight 405.51 g/mol
Molecular Formula C22H16FN3S2
Exact Mass 405.076968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OjxFOMMkHS
Name N-{3-Fluoro-2,6-bis(phenylthio)phenyl}pyrimidin-2-amine
Appearance White solid
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Exact Mass 405.076968038 u
Formula C22H16FN3S2
InChI InChI=1S/C22H16FN3S2/c23-18-12-13-19(27-16-8-3-1-4-9-16)20(26-22-24-14-7-15-25-22)21(18)28-17-10-5-2-6-11-17/h1-15H,(H,24,25,26)
InChIKey DEBFKQXWEZFRQT-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201603092
Molecular Weight 405.509 g/mol
Quality 148
Reported Formula C22H16FN3S2
SMILES N(C1=C(C(F)=CC=C1SC1=CC=CC=C1)SC1=CC=CC=C1)C1=NC=CC=N1
SPLASH splash10-00kb-0190000000-79eff963986919d5cce4
Source of Spectrum QE-22-SM12-3ma (DOI: 10.1002/chem.201603092)
Wiley ID 1905121