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2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide
SpectraBase Compound ID Jazff1rzPXu
InChI InChI=1S/C22H21ClF3N3O3S/c1-3-10-32-15-7-4-13(5-8-15)27-20(31)18-12-19(30)29(2)21(33-18)28-14-6-9-17(23)16(11-14)22(24,25)26/h4-9,11,18H,3,10,12H2,1-2H3,(H,27,31)/b28-21+
InChIKey DYNLJNXRCHMSJK-SGWCAAJKSA-N
Mol Weight 499.94 g/mol
Molecular Formula C22H21ClF3N3O3S
Exact Mass 499.094425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E8VXcEFwsFN
Name 2H-1,3-thiazine-6-carboxamide, 2-[[4-chloro-3-(trifluoromethyl)phenyl]imino]tetrahydro-3-methyl-4-oxo-N-(4-propoxyphenyl)-,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 499.094424908 u
Formula C22H21ClF3N3O3S
InChI InChI=1S/C22H21ClF3N3O3S/c1-3-10-32-15-7-4-13(5-8-15)27-20(31)18-12-19(30)29(2)21(33-18)28-14-6-9-17(23)16(11-14)22(24,25)26/h4-9,11,18H,3,10,12H2,1-2H3,(H,27,31)/b28-21+
InChIKey DYNLJNXRCHMSJK-SGWCAAJKSA-N
Molecular Weight 499.936 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13289
Solvent DMSO-d6
Source Vendor ID: NMR/10215576; Lab Info: L-04; Lab Number: NMR/9221056