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

*Links on SpectraBase are not permalinks.
(1-Allyl-6-hydroxy-2-(methylthio)-6-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl) (4-fluorophenyl)methanone
SpectraBase Compound ID LXUGA9iAe06
InChI InChI=1S/C16H14F4N2O2S/c1-3-8-22-14(25-2)21-9-12(15(22,24)16(18,19)20)13(23)10-4-6-11(17)7-5-10/h3-7,9,24H,1,8H2,2H3
InChIKey ITKPEJZJFKLHIK-UHFFFAOYSA-N
Mol Weight 374.35 g/mol
Molecular Formula C16H14F4N2O2S
Exact Mass 374.071212 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 5x0zeFR0E5W
Name (1-Allyl-6-hydroxy-2-(methylthio)-6-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl) (4-fluorophenyl)methanone
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14F4N2O2S
InChI InChI=1S/C16H14F4N2O2S/c1-3-8-22-14(25-2)21-9-12(15(22,24)16(18,19)20)13(23)10-4-6-11(17)7-5-10/h3-7,9,24H,1,8H2,2H3
InChIKey ITKPEJZJFKLHIK-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000879
Molecular Weight 374.354 g/mol
SMILES OC1(N(CC=C)C(=NC=C1C(c1ccc(F)cc1)=O)SC)C(F)(F)F
SPLASH splash10-0a4i-1339000000-2a89da678c0f31cd339d
Source of Spectrum U1-2020-5534-3z
Wiley ID 1860919