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2H-1,3-thiazine-6-carboxamide, N-[4-(chlorodifluoromethoxy)phenyl]tetrahydro-4-oxo-3-(2-phenylethyl)-2-
SpectraBase Compound ID AUyx8BNdtcH
InChI InChI=1S/C26H22ClF2N3O3S/c27-26(28,29)35-21-13-11-20(12-14-21)30-24(34)22-17-23(33)32(16-15-18-7-3-1-4-8-18)25(36-22)31-19-9-5-2-6-10-19/h1-14,22H,15-17H2,(H,30,34)/b31-25+
InChIKey JOGJPKQITVFGCX-QCKNELIISA-N
Mol Weight 529.99 g/mol
Molecular Formula C26H22ClF2N3O3S
Exact Mass 529.103847 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CzrPlGYSGCG
Name 2H-1,3-thiazine-6-carboxamide, N-[4-(chlorodifluoromethoxy)phenyl]tetrahydro-4-oxo-3-(2-phenylethyl)-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 529.103846777 u
Formula C26H22ClF2N3O3S
InChI InChI=1S/C26H22ClF2N3O3S/c27-26(28,29)35-21-13-11-20(12-14-21)30-24(34)22-17-23(33)32(16-15-18-7-3-1-4-8-18)25(36-22)31-19-9-5-2-6-10-19/h1-14,22H,15-17H2,(H,30,34)/b31-25+
InChIKey JOGJPKQITVFGCX-QCKNELIISA-N
Molecular Weight 529.990 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14945
Solvent DMSO-d6
Source Vendor ID: NMR/10215703; Lab Info: PE; Lab Number: NMR/9296091