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2-(4-Bromo-phenylimino)-3-ethyl-4-oxo-[1,3]thiazinane-6-carboxylic acid [4-(chloro-difluoro-methoxy)-phenyl]-amide
SpectraBase Compound ID KvKd0cIALNV
InChI InChI=1S/C20H17BrClF2N3O3S/c1-2-27-17(28)11-16(31-19(27)26-14-5-3-12(21)4-6-14)18(29)25-13-7-9-15(10-8-13)30-20(22,23)24/h3-10,16H,2,11H2,1H3,(H,25,29)/b26-19-
InChIKey OUICTRNEMMDOFM-XHPQRKPJSA-N
Mol Weight 532.79 g/mol
Molecular Formula C20H17BrClF2N3O3S
Exact Mass 530.98306 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C27u3whlPj6
Name 2H-1,3-thiazine-6-carboxamide, 2-[(4-bromophenyl)imino]-N-[4-(chlorodifluoromethoxy)phenyl]-3-ethyltetrahydro-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 530.983059616 u
Formula C20H17BrClF2N3O3S
InChI InChI=1S/C20H17BrClF2N3O3S/c1-2-27-17(28)11-16(31-19(27)26-14-5-3-12(21)4-6-14)18(29)25-13-7-9-15(10-8-13)30-20(22,23)24/h3-10,16H,2,11H2,1H3,(H,25,29)/b26-19-
InChIKey OUICTRNEMMDOFM-XHPQRKPJSA-N
Molecular Weight 532.788 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14426
Solvent DMSO-d6
Source Vendor ID: NMR/10215647; Lab Info: PE; Lab Number: NMR/9296003