For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-Benzylsulfanyl-6-fluoro-2-trifluoromethyl-pyrimidine-5-carbonitrile
SpectraBase Compound ID 7oORQscFUAY
InChI InChI=1S/C13H7F4N3S/c14-10-9(6-18)11(20-12(19-10)13(15,16)17)21-7-8-4-2-1-3-5-8/h1-5H,7H2
InChIKey RJIKPPWVAPSHMK-UHFFFAOYSA-N
Mol Weight 313.27 g/mol
Molecular Formula C13H7F4N3S
Exact Mass 313.029681 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9XrjGXISk21
Name 4-Benzylsulfanyl-6-fluoro-2-trifluoromethyl-pyrimidine-5-carbonitrile
Alternate Name(s) 4-(Benzylsulfanyl)-6-fluoro-2-(trifluoromethyl)-5-pyrimidinecarbonitrile 4-(benzylthio)-6-fluoro-2-(trifluoromethyl)pyrimidine-5-carbonitrile 4-Fluoranyl-6-(phenylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine-5-carbonitrile 4-Fluoro-6-(phenylmethylthio)-2-(trifluoromethyl)-5-pyrimidinecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H7F4N3S
InChI InChI=1S/C13H7F4N3S/c14-10-9(6-18)11(20-12(19-10)13(15,16)17)21-7-8-4-2-1-3-5-8/h1-5H,7H2
InChIKey RJIKPPWVAPSHMK-UHFFFAOYSA-N
Molecular Weight 313.274 g/mol
SMILES c1(nc(nc(c1C#N)SCc1ccccc1)C(F)(F)F)F
SPLASH splash10-0006-9000000000-2e07c4e466c909bb7670
Wiley ID 1464392