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N-{2-Fluoro-6-(phenylthio)phenyl}pyrimidin-2-amine
SpectraBase Compound ID BmDXBCQ338a
InChI InChI=1S/C16H12FN3S/c17-13-8-4-9-14(21-12-6-2-1-3-7-12)15(13)20-16-18-10-5-11-19-16/h1-11H,(H,18,19,20)
InChIKey ADPMIMXGRSUPOQ-UHFFFAOYSA-N
Mol Weight 297.35 g/mol
Molecular Formula C16H12FN3S
Exact Mass 297.073597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1MlFow3bZoT
Name N-{2-Fluoro-6-(phenylthio)phenyl}pyrimidin-2-amine
Appearance Colorless solid
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Exact Mass 297.073596735 u
Formula C16H12FN3S
InChI InChI=1S/C16H12FN3S/c17-13-8-4-9-14(21-12-6-2-1-3-7-12)15(13)20-16-18-10-5-11-19-16/h1-11H,(H,18,19,20)
InChIKey ADPMIMXGRSUPOQ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201603092
Molecular Weight 297.351 g/mol
Quality 21
Reported Formula C16H12FN3S
SMILES N(C1=C(F)C=CC=C1SC1=CC=CC=C1)C1=NC=CC=N1
SPLASH splash10-000i-0940000000-5b6716fdcecdbcf6b1d8
Source of Spectrum QE-22-SM6-3aa (DOI: 10.1002/chem.201603092)
Wiley ID 1905113