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2-(N-Methylphenylamino)-4-phenylthio-5-(trifluoromethyl)pyrimidine
SpectraBase Compound ID EjpF9ZayjEu
InChI InChI=1S/2C18H14F3N3S/c2*1-24(13-8-4-2-5-9-13)17-22-12-15(18(19,20)21)16(23-17)25-14-10-6-3-7-11-14/h2*2-12H,1H3
InChIKey WNOZTTMDYPSQQY-UHFFFAOYSA-N
Mol Weight 722.77 g/mol
Molecular Formula C36H28F6N6S2
Exact Mass 722.172106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKJ8vTs8ZlI
Name 2-(N-Methylphenylamino)-4-phenylthio-5-(trifluoromethyl)pyrimidine
Appearance Colorless transparent liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H28F6N6S2
InChI InChI=1S/2C18H14F3N3S/c2*1-24(13-8-4-2-5-9-13)17-22-12-15(18(19,20)21)16(23-17)25-14-10-6-3-7-11-14/h2*2-12H,1H3
InChIKey WNOZTTMDYPSQQY-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Plus
Ionization Type EI
Molecular Weight 722.772 g/mol
SMILES c1c(c(nc(n1)N(c1ccccc1)C)Sc1ccccc1)C(F)(F)F.c1c(c(nc(n1)N(c1ccccc1)C)Sc1ccccc1)C(F)(F)F
SPLASH splash10-03di-2109000000-ed2fe58e8ade35537db8
Source of Spectrum JP2016053012A
Wiley ID 1852989