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2H-1,3-thiazine-6-carboxamide, 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)imino]tetrahydro-4-oxo-, (2E)-
SpectraBase Compound ID 5BIVJth3VCx
InChI InChI=1S/C25H19F2N3O4S/c26-16-2-6-18(7-3-16)28-24(32)22-12-23(31)30(13-15-1-10-20-21(11-15)34-14-33-20)25(35-22)29-19-8-4-17(27)5-9-19/h1-11,22H,12-14H2,(H,28,32)/b29-25+
InChIKey SOZCRPSVLBSTBY-XLVZBRSZSA-N
Mol Weight 495.5 g/mol
Molecular Formula C25H19F2N3O4S
Exact Mass 495.106434 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6bxkNlM1BxD
Name 2H-1,3-thiazine-6-carboxamide, 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)imino]tetrahydro-4-oxo-, (2E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 495.106433600 u
Formula C25H19F2N3O4S
InChI InChI=1S/C25H19F2N3O4S/c26-16-2-6-18(7-3-16)28-24(32)22-12-23(31)30(13-15-1-10-20-21(11-15)34-14-33-20)25(35-22)29-19-8-4-17(27)5-9-19/h1-11,22H,12-14H2,(H,28,32)/b29-25+
InChIKey SOZCRPSVLBSTBY-XLVZBRSZSA-N
Molecular Weight 495.501 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13013
Solvent DMSO-d6
Source Vendor ID: NMR/10215633; Lab Info: PE; Lab Number: NMR/9264557