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N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide
SpectraBase Compound ID 8E4K4dwqNLO
InChI InChI=1S/C17H14F3N5O3S/c1-3-12-22-23-15(29-12)21-14(27)9-5-4-6-10(7-9)25-13(26)8-11(17(18,19)20)24(2)16(25)28/h4-8H,3H2,1-2H3,(H,21,23,27)
InChIKey RWOLNIXAFCXGRK-UHFFFAOYSA-N
Mol Weight 425.39 g/mol
Molecular Formula C17H14F3N5O3S
Exact Mass 425.076945 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OuOXPffzmy
Name N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.076944991 u
Formula C17H14F3N5O3S
InChI InChI=1S/C17H14F3N5O3S/c1-3-12-22-23-15(29-12)21-14(27)9-5-4-6-10(7-9)25-13(26)8-11(17(18,19)20)24(2)16(25)28/h4-8H,3H2,1-2H3,(H,21,23,27)
InChIKey RWOLNIXAFCXGRK-UHFFFAOYSA-N
Instrument Name Finnigan TRACE
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2160
Molecular Weight 425.386 g/mol
SMILES N(C(C1=CC(N2C(N(C(=CC2=O)C(F)(F)F)C)=O)=CC=C1)=O)C1=NN=C(S1)CC
SPLASH splash10-0002-0090000000-4a342d8ec901162c5e9a
Source of Spectrum Y-52-1311-8e (DOI: 10.1002/jhet.2160)
Wiley ID 1902498