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2H-1,3-thiazine-6-carboxylic acid, 3,4-dihydro-3-[(4-methoxyphenyl)methyl]-4-oxo-2-[[3-(trifluoromethyl)phenyl]imino]-, methyl ester,

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2H-1,3-thiazine-6-carboxylic acid, 3,4-dihydro-3-[(4-methoxyphenyl)methyl]-4-oxo-2-[[3-(trifluoromethyl)phenyl]imino]-, methyl ester,
SpectraBase Compound ID Iy5ZvoW3d9A
InChI InChI=1S/C21H17F3N2O4S/c1-29-16-8-6-13(7-9-16)12-26-18(27)11-17(19(28)30-2)31-20(26)25-15-5-3-4-14(10-15)21(22,23)24/h3-11H,12H2,1-2H3/b25-20-
InChIKey ZIXQBUZLXAEYLO-QQTULTPQSA-N
Mol Weight 450.43 g/mol
Molecular Formula C21H17F3N2O4S
Exact Mass 450.086113 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3808DITPqSQ
Name 2H-1,3-thiazine-6-carboxylic acid, 3,4-dihydro-3-[(4-methoxyphenyl)methyl]-4-oxo-2-[[3-(trifluoromethyl)phenyl]imino]-, methyl ester,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.086112694 u
Formula C21H17F3N2O4S
InChI InChI=1S/C21H17F3N2O4S/c1-29-16-8-6-13(7-9-16)12-26-18(27)11-17(19(28)30-2)31-20(26)25-15-5-3-4-14(10-15)21(22,23)24/h3-11H,12H2,1-2H3/b25-20-
InChIKey ZIXQBUZLXAEYLO-QQTULTPQSA-N
Molecular Weight 450.432 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2094
Solvent DMSO-d6
Source Vendor ID: NMR/13236555; Lab Info: PE; Lab Number: PE-0403085