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2H-1,3-thiazine-6-carboxylic acid, 2-[(3-chloro-4-fluorophenyl)imino]-3,4-dihydro-4-oxo-3-(2-phenylethyl)-, methyl ester, (2Z)-

View entire compound with spectra: 1 NMR

2H-1,3-thiazine-6-carboxylic acid, 2-[(3-chloro-4-fluorophenyl)imino]-3,4-dihydro-4-oxo-3-(2-phenylethyl)-, methyl ester, (2Z)-
SpectraBase Compound ID LK7VFI4Olrl
InChI InChI=1S/C20H16ClFN2O3S/c1-27-19(26)17-12-18(25)24(10-9-13-5-3-2-4-6-13)20(28-17)23-14-7-8-16(22)15(21)11-14/h2-8,11-12H,9-10H2,1H3/b23-20-
InChIKey HQWGKMGRZZDAET-ATJXCDBQSA-N
Mol Weight 418.87 g/mol
Molecular Formula C20H16ClFN2O3S
Exact Mass 418.055419 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IHyx4ezyawJ
Name 2H-1,3-thiazine-6-carboxylic acid, 2-[(3-chloro-4-fluorophenyl)imino]-3,4-dihydro-4-oxo-3-(2-phenylethyl)-, methyl ester, (2Z)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.055419417 u
Formula C20H16ClFN2O3S
InChI InChI=1S/C20H16ClFN2O3S/c1-27-19(26)17-12-18(25)24(10-9-13-5-3-2-4-6-13)20(28-17)23-14-7-8-16(22)15(21)11-14/h2-8,11-12H,9-10H2,1H3/b23-20-
InChIKey HQWGKMGRZZDAET-ATJXCDBQSA-N
Molecular Weight 418.870 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5535
Solvent DMSO-d6
Source Vendor ID: NMR/13288881