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3-[2-(4-methoxy-phenyl)-ethyl]-4-oxo-2-(3-trifluoromethyl-phenylimino)-[1,3]thiazinane-6-carboxylic acid [4-(chloro-difluoro-methoxy)-phenyl]-amide

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

3-[2-(4-methoxy-phenyl)-ethyl]-4-oxo-2-(3-trifluoromethyl-phenylimino)-[1,3]thiazinane-6-carboxylic acid [4-(chloro-difluoro-methoxy)-phenyl]-amide
SpectraBase Compound ID DIEGtNhtLVv
InChI InChI=1S/C28H23ClF5N3O4S/c1-40-21-9-5-17(6-10-21)13-14-37-24(38)16-23(25(39)35-19-7-11-22(12-8-19)41-28(29,33)34)42-26(37)36-20-4-2-3-18(15-20)27(30,31)32/h2-12,15,23H,13-14,16H2,1H3,(H,35,39)/b36-26-
InChIKey HDCPOGITHWSPDO-QYVLQNAGSA-N
Mol Weight 628.01 g/mol
Molecular Formula C28H23ClF5N3O4S
Exact Mass 627.101796 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7gKsgcw3fPv
Name 2H-1,3-thiazine-6-carboxamide, N-[4-(chlorodifluoromethoxy)phenyl]tetrahydro-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 627.101795918 u
Formula C28H23ClF5N3O4S
InChI InChI=1S/C28H23ClF5N3O4S/c1-40-21-9-5-17(6-10-21)13-14-37-24(38)16-23(25(39)35-19-7-11-22(12-8-19)41-28(29,33)34)42-26(37)36-20-4-2-3-18(15-20)27(30,31)32/h2-12,15,23H,13-14,16H2,1H3,(H,35,39)/b36-26-
InChIKey HDCPOGITHWSPDO-QYVLQNAGSA-N
Molecular Weight 628.014 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14438
Solvent DMSO-d6
Source Vendor ID: NMR/10215691; Lab Info: PE; Lab Number: NMR/9296071