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

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3-(1,3-Benzodioxol-5-ylmethyl)-N-{4-[chloro(difluoro)methoxy]phenyl}-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
SpectraBase Compound ID AeG1810ZfP4
InChI InChI=1S/C27H19ClF5N3O5S/c28-27(32,33)41-19-7-5-17(6-8-19)34-24(38)22-12-23(37)36(13-15-4-9-20-21(10-15)40-14-39-20)25(42-22)35-18-3-1-2-16(11-18)26(29,30)31/h1-11,22H,12-14H2,(H,34,38)/b35-25+
InChIKey VWGMLXIISITXRS-KVQDIILNSA-N
Mol Weight 627.97 g/mol
Molecular Formula C27H19ClF5N3O5S
Exact Mass 627.06541 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8hwgkffq0TW
Name 2H-1,3-thiazine-6-carboxamide, 3-(1,3-benzodioxol-5-ylmethyl)-N-[4-(chlorodifluoromethoxy)phenyl]tetrahydro-4-oxo-2-[[3-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 627.065410408 u
Formula C27H19ClF5N3O5S
InChI InChI=1S/C27H19ClF5N3O5S/c28-27(32,33)41-19-7-5-17(6-8-19)34-24(38)22-12-23(37)36(13-15-4-9-20-21(10-15)40-14-39-20)25(42-22)35-18-3-1-2-16(11-18)26(29,30)31/h1-11,22H,12-14H2,(H,34,38)/b35-25+
InChIKey VWGMLXIISITXRS-KVQDIILNSA-N
Molecular Weight 627.970 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14442
Solvent DMSO-d6
Source Vendor ID: NMR/10215702; Lab Info: PE; Lab Number: NMR/9296090