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3-Benzyl-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
SpectraBase Compound ID AwIe2GSAQA0
InChI InChI=1S/C25H20ClF2N3O3S/c26-25(27,28)34-20-13-11-19(12-14-20)30-24-31(16-17-7-3-1-4-8-17)22(32)15-21(35-24)23(33)29-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,29,33)/b30-24-
InChIKey SHDDWEHFEITSNC-KRUMMXJUSA-N
Mol Weight 515.96 g/mol
Molecular Formula C25H20ClF2N3O3S
Exact Mass 515.088197 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dp9mxVcnFGl
Name 2H-1,3-thiazine-6-carboxamide, 2-[[4-(chlorodifluoromethoxy)phenyl]imino]tetrahydro-4-oxo-N-phenyl-3-(phenylmethyl)-,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 515.088196713 u
Formula C25H20ClF2N3O3S
InChI InChI=1S/C25H20ClF2N3O3S/c26-25(27,28)34-20-13-11-19(12-14-20)30-24-31(16-17-7-3-1-4-8-17)22(32)15-21(35-24)23(33)29-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,29,33)/b30-24-
InChIKey SHDDWEHFEITSNC-KRUMMXJUSA-N
Molecular Weight 515.963 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12926
Solvent DMSO-d6
Source Vendor ID: NMR/10215684; Lab Info: PE; Lab Number: NMR/9296063