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2H-1,3-thiazine-6-carboxylic acid, 3,4-dihydro-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-[[3-(trifluoromethyl)phenyl]imino]-, methyl ester,
SpectraBase Compound ID Cp92M36xkAm
InChI InChI=1S/C22H19F3N2O4S/c1-30-17-8-6-14(7-9-17)10-11-27-19(28)13-18(20(29)31-2)32-21(27)26-16-5-3-4-15(12-16)22(23,24)25/h3-9,12-13H,10-11H2,1-2H3/b26-21-
InChIKey ZLANBUUYMXOVEN-QLYXXIJNSA-N
Mol Weight 464.46 g/mol
Molecular Formula C22H19F3N2O4S
Exact Mass 464.101763 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HCR2ePw8bN
Name 2H-1,3-thiazine-6-carboxylic acid, 3,4-dihydro-3-[2-(4-methoxyphenyl)ethyl]-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 464.101762759 u
Formula C22H19F3N2O4S
InChI InChI=1S/C22H19F3N2O4S/c1-30-17-8-6-14(7-9-17)10-11-27-19(28)13-18(20(29)31-2)32-21(27)26-16-5-3-4-15(12-16)22(23,24)25/h3-9,12-13H,10-11H2,1-2H3/b26-21-
InChIKey ZLANBUUYMXOVEN-QLYXXIJNSA-N
Molecular Weight 464.459 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2097
Solvent DMSO-d6
Source Vendor ID: NMR/13236564; Lab Info: PE; Lab Number: PE-0403059