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(1-Allyl-6-hydroxy-2-(methylthio)-6-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)(4-tolyl)methanone
SpectraBase Compound ID 4Rxknr6UZqR
InChI InChI=1S/C17H17F3N2O2S/c1-4-9-22-15(25-3)21-10-13(16(22,24)17(18,19)20)14(23)12-7-5-11(2)6-8-12/h4-8,10,24H,1,9H2,2-3H3
InChIKey YTVUNHDIJZKBML-UHFFFAOYSA-N
Mol Weight 370.39 g/mol
Molecular Formula C17H17F3N2O2S
Exact Mass 370.096283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4f4XOzkrQnh
Name (1-Allyl-6-hydroxy-2-(methylthio)-6-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)(4-tolyl)methanone
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17F3N2O2S
InChI InChI=1S/C17H17F3N2O2S/c1-4-9-22-15(25-3)21-10-13(16(22,24)17(18,19)20)14(23)12-7-5-11(2)6-8-12/h4-8,10,24H,1,9H2,2-3H3
InChIKey YTVUNHDIJZKBML-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000879
Molecular Weight 370.390 g/mol
SMILES OC1(C(C(=O)c2ccc(cc2)C)=CN=C(SC)N1CC=C)C(F)(F)F
SPLASH splash10-0zfr-1259000000-153d4ee614f8b9b3f4e8
Source of Spectrum U1-2020-5533-3v
Wiley ID 1860915