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2H-1,3-thiazine-6-carboxylic acid, 2-[[4-(chlorodifluoromethoxy)phenyl]imino]tetrahydro-4-oxo-3-(2-phenylethyl)-, (2E)-
SpectraBase Compound ID 6IQZC7TIt3j
InChI InChI=1S/C20H17ClF2N2O4S/c21-20(22,23)29-15-8-6-14(7-9-15)24-19-25(11-10-13-4-2-1-3-5-13)17(26)12-16(30-19)18(27)28/h1-9,16H,10-12H2,(H,27,28)/b24-19+
InChIKey DWIUVBLOFFSPBB-LYBHJNIJSA-N
Mol Weight 454.88 g/mol
Molecular Formula C20H17ClF2N2O4S
Exact Mass 454.056562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JpugRyquJSm
Name 2H-1,3-thiazine-6-carboxylic acid, 2-[[4-(chlorodifluoromethoxy)phenyl]imino]tetrahydro-4-oxo-3-(2-phenylethyl)-, (2E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.056562231 u
Formula C20H17ClF2N2O4S
InChI InChI=1S/C20H17ClF2N2O4S/c21-20(22,23)29-15-8-6-14(7-9-15)24-19-25(11-10-13-4-2-1-3-5-13)17(26)12-16(30-19)18(27)28/h1-9,16H,10-12H2,(H,27,28)/b24-19+
InChIKey DWIUVBLOFFSPBB-LYBHJNIJSA-N
Molecular Weight 454.876 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4070
Solvent DMSO-d6
Source Vendor ID: NMR/9296117; Lab Info: PE; Lab Number: PE/9042517