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N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(4-fluorophenyl)imino]-3-isobutyl-4-oxo-1,3-thiazinane-6-carboxamide
SpectraBase Compound ID 8f065P55poK
InChI InChI=1S/C22H21ClF3N3O3S/c1-13(2)12-29-19(30)11-18(33-21(29)28-16-5-3-14(24)4-6-16)20(31)27-15-7-9-17(10-8-15)32-22(23,25)26/h3-10,13,18H,11-12H2,1-2H3,(H,27,31)/b28-21-
InChIKey DOQNULAAVYUFKO-HFTWOUSFSA-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 10lkBRsrqxR
Name 2H-1,3-thiazine-6-carboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-2-[(4-fluorophenyl)imino]tetrahydro-3-(2-methylpropyl)-4-oxo-, (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 499.094424908 u
Formula C22H21ClF3N3O3S
InChI InChI=1S/C22H21ClF3N3O3S/c1-13(2)12-29-19(30)11-18(33-21(29)28-16-5-3-14(24)4-6-16)20(31)27-15-7-9-17(10-8-15)32-22(23,25)26/h3-10,13,18H,11-12H2,1-2H3,(H,27,31)/b28-21-
InChIKey DOQNULAAVYUFKO-HFTWOUSFSA-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_14512
Solvent DMSO-d6
Source Vendor ID: NMR/10215825; Lab Info: PE; Lab Number: NMR/9296284