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3-(1,3-Benzodioxol-5-ylmethyl)-N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide

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3-(1,3-Benzodioxol-5-ylmethyl)-N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
SpectraBase Compound ID 1ptG1xu650x
InChI InChI=1S/C26H19ClF3N3O5S/c27-26(29,30)38-19-8-6-17(7-9-19)31-24(35)22-12-23(34)33(13-15-1-10-20-21(11-15)37-14-36-20)25(39-22)32-18-4-2-16(28)3-5-18/h1-11,22H,12-14H2,(H,31,35)/b32-25+
InChIKey MHAFRKLWWWUSCJ-WGPBWIAQSA-N
Mol Weight 577.96 g/mol
Molecular Formula C26H19ClF3N3O5S
Exact Mass 577.068604 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 10iM1kREei8
Name 2H-1,3-thiazine-6-carboxamide, 3-(1,3-benzodioxol-5-ylmethyl)-N-[4-(chlorodifluoromethoxy)phenyl]-2-[(4-fluorophenyl)imino]tetrahydro-4-oxo-, (2E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 577.068604082 u
Formula C26H19ClF3N3O5S
InChI InChI=1S/C26H19ClF3N3O5S/c27-26(29,30)38-19-8-6-17(7-9-19)31-24(35)22-12-23(34)33(13-15-1-10-20-21(11-15)37-14-36-20)25(39-22)32-18-4-2-16(28)3-5-18/h1-11,22H,12-14H2,(H,31,35)/b32-25+
InChIKey MHAFRKLWWWUSCJ-WGPBWIAQSA-N
Molecular Weight 577.962 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14439
Solvent DMSO-d6
Source Vendor ID: NMR/10215694; Lab Info: PE; Lab Number: NMR/9296076