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2-N-[2'-(3'',4''-Dimethoxyphenyl)ethyl[imino-1-(p-tolyl)sulfinyl-3,3,3-trifluoropropane

View entire compound with spectra: 1 NMR, and 1 FTIR

2-N-[2'-(3'',4''-Dimethoxyphenyl)ethyl[imino-1-(p-tolyl)sulfinyl-3,3,3-trifluoropropane
SpectraBase Compound ID 4giIi92c3G3
InChI InChI=1S/C20H22F3NO3S/c1-14-4-7-16(8-5-14)28(25)13-19(20(21,22)23)24-11-10-15-6-9-17(26-2)18(12-15)27-3/h4-9,12H,10-11,13H2,1-3H3/b24-19+
InChIKey SWPDTNNVRSTACQ-LYBHJNIJSA-N
Mol Weight 413.46 g/mol
Molecular Formula C20H22F3NO3S
Exact Mass 413.127249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HnisS6NywEL
Name 2-N-[2'-(3'',4''-Dimethoxyphenyl)ethyl[imino-1-(p-tolyl)sulfinyl-3,3,3-trifluoropropane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.127249232 u
Formula C20H22F3NO3S
InChI InChI=1S/C20H22F3NO3S/c1-14-4-7-16(8-5-14)28(25)13-19(20(21,22)23)24-11-10-15-6-9-17(26-2)18(12-15)27-3/h4-9,12H,10-11,13H2,1-3H3/b24-19+
InChIKey SWPDTNNVRSTACQ-LYBHJNIJSA-N
Molecular Weight 413.455 g/mol
SMILES C(\C(C[S@](C=1C=CC(C)=CC1)=O)=N\CCC=1C=C(OC)C(=CC1)OC)(F)(F)F