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(1-Ethyl-6-hydroxy-2-(methylthio)-6-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)(4-tolyl)methanone
SpectraBase Compound ID 9pv3xlPKEc4
InChI InChI=1S/C16H17F3N2O2S/c1-4-21-14(24-3)20-9-12(15(21,23)16(17,18)19)13(22)11-7-5-10(2)6-8-11/h5-9,23H,4H2,1-3H3
InChIKey SIBNMGOEPDLAHL-UHFFFAOYSA-N
Mol Weight 358.38 g/mol
Molecular Formula C16H17F3N2O2S
Exact Mass 358.096283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 307jUrJdqK
Name (1-Ethyl-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 C16H17F3N2O2S
InChI InChI=1S/C16H17F3N2O2S/c1-4-21-14(24-3)20-9-12(15(21,23)16(17,18)19)13(22)11-7-5-10(2)6-8-11/h5-9,23H,4H2,1-3H3
InChIKey SIBNMGOEPDLAHL-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000879
Molecular Weight 358.379 g/mol
SMILES OC1(C(C(=O)c2ccc(cc2)C)=CN=C(SC)N1CC)C(F)(F)F
SPLASH splash10-000j-0960000000-735d74699b9023f0bfaf
Source of Spectrum U1-2020-5532-3l
Wiley ID 1860905