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(E)-2-Ethylhexyl 4,4,4-trifluoro-2-(p-tolylthio)but-2-enoate

View entire compound with spectra: 1 NMR, and 2 MS (GC)

(E)-2-Ethylhexyl 4,4,4-trifluoro-2-(p-tolylthio)but-2-enoate
SpectraBase Compound ID LMXueET86Af
InChI InChI=1S/C19H25F3O2S/c1-4-6-7-15(5-2)13-24-18(23)17(12-19(20,21)22)25-16-10-8-14(3)9-11-16/h8-12,15H,4-7,13H2,1-3H3/b17-12+
InChIKey ANODUCQHNMFAHF-SFQUDFHCSA-N
Mol Weight 374.46 g/mol
Molecular Formula C19H25F3O2S
Exact Mass 374.152736 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Qqy1LRQjSF
Name (E)-2-Ethylhexyl 4,4,4-trifluoro-2-(p-tolylthio)but-2-enoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.152735706 u
Formula C19H25F3O2S
InChI InChI=1S/C19H25F3O2S/c1-4-6-7-15(5-2)13-24-18(23)17(12-19(20,21)22)25-16-10-8-14(3)9-11-16/h8-12,15H,4-7,13H2,1-3H3/b17-12+
InChIKey ANODUCQHNMFAHF-SFQUDFHCSA-N
Molecular Weight 374.462 g/mol
SMILES C(\C(=C/C(F)(F)F)SC=1C=CC(=CC1)C)(OCC(CC)CCCC)=O