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2H-1,3-thiazine-6-carboxamide, 2-[[4-(chlorodifluoromethoxy)phenyl]imino]-3-ethyltetrahydro-N-(4-iodophenyl)-4-oxo-,
SpectraBase Compound ID FhalvS26UpH
InChI InChI=1S/C20H17ClF2IN3O3S/c1-2-27-17(28)11-16(18(29)25-13-5-3-12(24)4-6-13)31-19(27)26-14-7-9-15(10-8-14)30-20(21,22)23/h3-10,16H,2,11H2,1H3,(H,25,29)/b26-19+
InChIKey NGXDLYKCNMZHES-LGUFXXKBSA-N
Mol Weight 579.79 g/mol
Molecular Formula C20H17ClF2IN3O3S
Exact Mass 578.969192 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FtE4UeG6sKV
Name 2H-1,3-thiazine-6-carboxamide, 2-[[4-(chlorodifluoromethoxy)phenyl]imino]-3-ethyltetrahydro-N-(4-iodophenyl)-4-oxo-,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 578.969191616 u
Formula C20H17ClF2IN3O3S
InChI InChI=1S/C20H17ClF2IN3O3S/c1-2-27-17(28)11-16(18(29)25-13-5-3-12(24)4-6-13)31-19(27)26-14-7-9-15(10-8-14)30-20(21,22)23/h3-10,16H,2,11H2,1H3,(H,25,29)/b26-19+
InChIKey NGXDLYKCNMZHES-LGUFXXKBSA-N
Molecular Weight 579.788 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6134
Solvent DMSO-d6
Source Vendor ID: NMR/11220777; Lab Info: PE; Lab Number: PE-0000023