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

*Links on SpectraBase are not permalinks.
6-(PARA-FLUOROPHENYL)-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
SpectraBase Compound ID 68fp7v5K1V9
InChI InChI=1S/C11H6FN3OS/c12-7-3-1-6(2-4-7)9-8(5-13)10(16)15-11(17)14-9/h1-4H,(H2,14,15,16,17)
InChIKey YRUUGEPPEPQISW-UHFFFAOYSA-N
Mol Weight 247.25 g/mol
Molecular Formula C11H6FN3OS
Exact Mass 247.021561 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 1Pqf7OouoZu
Name 4-(4-fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile
Alternate Name(s) 5-Pyrimidinecarbonitrile, 4-(4-fluorophenyl)-6-hydroxy-2-mercapto- 6-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 6-(4-fluorophenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile 6-(4-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H6FN3OS
InChI InChI=1S/C11H6FN3OS/c12-7-3-1-6(2-4-7)9-8(5-13)10(16)15-11(17)14-9/h1-4H,(H2,14,15,16,17)
InChIKey YRUUGEPPEPQISW-UHFFFAOYSA-N
Molecular Weight 247.247 g/mol
SMILES Oc1nc(nc(c1C#N)-c1ccc(cc1)F)S
SPLASH splash10-006t-7940000000-060465f9bda7e907b588
Source of Spectrum IY-2-4843-5
Wiley ID 1656658