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(1-Allyl-6-hydroxy-2-(methylthio)-6-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl) (thiophen-2-yl)metanone
SpectraBase Compound ID 7CwrtAmchqS
InChI InChI=1S/C14H13F3N2O2S2/c1-3-6-19-12(22-2)18-8-9(13(19,21)14(15,16)17)11(20)10-5-4-7-23-10/h3-5,7-8,21H,1,6H2,2H3
InChIKey LBABTJQNPTWKBH-UHFFFAOYSA-N
Mol Weight 362.39 g/mol
Molecular Formula C14H13F3N2O2S2
Exact Mass 362.037055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMIStfWEWtL
Name (1-Allyl-6-hydroxy-2-(methylthio)-6-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl) (thiophen-2-yl)metanone
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13F3N2O2S2
InChI InChI=1S/C14H13F3N2O2S2/c1-3-6-19-12(22-2)18-8-9(13(19,21)14(15,16)17)11(20)10-5-4-7-23-10/h3-5,7-8,21H,1,6H2,2H3
InChIKey LBABTJQNPTWKBH-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000879
Molecular Weight 362.385 g/mol
SMILES OC1(N(CC=C)C(=NC=C1C(c1sccc1)=O)SC)C(F)(F)F
SPLASH splash10-0a4i-0190000000-24b7efb43cd2ffc149b7
Source of Spectrum U1-2020-5534-3ac
Wiley ID 1860893