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(1-Ethyl-6-hydroxy-2-(methylthio)-6-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl) (thiophen-2-yl)methanone
SpectraBase Compound ID Eej589ZFLW3
InChI InChI=1S/C13H13F3N2O2S2/c1-3-18-11(21-2)17-7-8(12(18,20)13(14,15)16)10(19)9-5-4-6-22-9/h4-7,20H,3H2,1-2H3
InChIKey MQAWQICOHSZCSM-UHFFFAOYSA-N
Mol Weight 350.37 g/mol
Molecular Formula C13H13F3N2O2S2
Exact Mass 350.037055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQNF8pVD6ym
Name (1-Ethyl-6-hydroxy-2-(methylthio)-6-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl) (thiophen-2-yl)methanone
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13F3N2O2S2
InChI InChI=1S/C13H13F3N2O2S2/c1-3-18-11(21-2)17-7-8(12(18,20)13(14,15)16)10(19)9-5-4-6-22-9/h4-7,20H,3H2,1-2H3
InChIKey MQAWQICOHSZCSM-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000879
Molecular Weight 350.374 g/mol
SMILES OC1(C(C(=O)c2sccc2)=CN=C(SC)N1CC)C(F)(F)F
SPLASH splash10-0002-0930000000-6fe0e7a2be1ae714aac3
Source of Spectrum U1-2020-5533-3s
Wiley ID 1860912