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(2Z,5E)-3-(2-methoxyethyl)-2-(phenylimino)-5-[4-(trifluoromethyl)benzylidene]-1,3-thiazolidin-4-one
SpectraBase Compound ID 2t12HoWoOOf
InChI InChI=1S/C20H17F3N2O2S/c1-27-12-11-25-18(26)17(28-19(25)24-16-5-3-2-4-6-16)13-14-7-9-15(10-8-14)20(21,22)23/h2-10,13H,11-12H2,1H3/b17-13+,24-19-
InChIKey LZDFOKFIHPTOHV-CYOLXVTKSA-N
Mol Weight 406.42 g/mol
Molecular Formula C20H17F3N2O2S
Exact Mass 406.096283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Uat69ilzHT
Name (2Z,5E)-3-(2-Methoxyethyl)-2-(phenylimino)-5-[4-(trifluoromethyl)benzylidene]-1,3-thiazolidin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.096283456 u
Formula C20H17F3N2O2S
InChI InChI=1S/C20H17F3N2O2S/c1-27-12-11-25-18(26)17(28-19(25)24-16-5-3-2-4-6-16)13-14-7-9-15(10-8-14)20(21,22)23/h2-10,13H,11-12H2,1H3/b17-13+,24-19-
InChIKey LZDFOKFIHPTOHV-CYOLXVTKSA-N
Molecular Weight 406.423 g/mol
SMILES C1(N(\C(S\C1=C/C1=CC=C(C(F)(F)F)C=C1)=N\C=1C=CC=CC1)CCOC)=O