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2-chloro-4-phenylthio-5-(trifluoromethyl)pyrimidine
SpectraBase Compound ID LpkokZA1Ust
InChI InChI=1S/C11H6ClF3N2S/c12-10-16-6-8(11(13,14)15)9(17-10)18-7-4-2-1-3-5-7/h1-6H
InChIKey XUSHLEMYTNMABK-UHFFFAOYSA-N
Mol Weight 290.69 g/mol
Molecular Formula C11H6ClF3N2S
Exact Mass 289.989232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4V3VeCQhzki
Name 2-chloro-4-phenylthio-5-(trifluoromethyl)pyrimidine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H6ClF3N2S
InChI InChI=1S/C11H6ClF3N2S/c12-10-16-6-8(11(13,14)15)9(17-10)18-7-4-2-1-3-5-7/h1-6H
InChIKey XUSHLEMYTNMABK-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Plus
Ionization Type EI
Molecular Weight 290.691 g/mol
SMILES c1nc(nc(Sc2ccccc2)c1C(F)(F)F)Cl
SPLASH splash10-000i-0190000000-42b338efc2825723db40
Source of Spectrum WO2015170600A1
Wiley ID 1850714