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2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-N-(4-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SpectraBase Compound ID 2LrJ3tabimQ
InChI InChI=1S/C21H19ClF3N3O3S/c1-3-31-14-7-4-12(5-8-14)26-19(30)17-11-18(29)28(2)20(32-17)27-13-6-9-16(22)15(10-13)21(23,24)25/h4-10,17H,3,11H2,1-2H3,(H,26,30)/b27-20+
InChIKey ZXVATUGGXIRBMC-NHFJDJAPSA-N
Mol Weight 485.91 g/mol
Molecular Formula C21H19ClF3N3O3S
Exact Mass 485.078775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Ui9BkpkXKo
Name 2H-1,3-thiazine-6-carboxamide, 2-[[4-chloro-3-(trifluoromethyl)phenyl]imino]-N-(4-ethoxyphenyl)tetrahydro-3-methyl-4-oxo-,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 485.078774844 u
Formula C21H19ClF3N3O3S
InChI InChI=1S/C21H19ClF3N3O3S/c1-3-31-14-7-4-12(5-8-14)26-19(30)17-11-18(29)28(2)20(32-17)27-13-6-9-16(22)15(10-13)21(23,24)25/h4-10,17H,3,11H2,1-2H3,(H,26,30)/b27-20+
InChIKey ZXVATUGGXIRBMC-NHFJDJAPSA-N
Molecular Weight 485.909 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13288
Solvent DMSO-d6
Source Vendor ID: NMR/10215574; Lab Info: L-04; Lab Number: NMR/9221050