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(1-Allyl-6-hydroxy-2-(methylthio)-6-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl) (4-bromophenyl) methanone
SpectraBase Compound ID DS5tBhxgOnl
InChI InChI=1S/C16H14BrF3N2O2S/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 ZYLGXDXWZLVODW-UHFFFAOYSA-N
Mol Weight 435.26 g/mol
Molecular Formula C16H14BrF3N2O2S
Exact Mass 433.991146 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KyWJP8VfBLd
Name (1-Allyl-6-hydroxy-2-(methylthio)-6-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl) (4-bromophenyl) methanone
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14BrF3N2O2S
InChI InChI=1S/C16H14BrF3N2O2S/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 ZYLGXDXWZLVODW-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000879
Molecular Weight 435.259 g/mol
SMILES OC1(C(C(=O)c2ccc(cc2)Br)=CN=C(SC)N1CC=C)C(F)(F)F
SPLASH splash10-066r-1259100000-b83c47155d624d0bbe3f
Source of Spectrum U1-2020-5533-3y
Wiley ID 1860918