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(2Z)-3-benzyl-N-(3-chloro-4-methylphenyl)-4-oxo-2-{[4-(trifluoromethyl)phenyl]imino}tetrahydro-2H-1,3-thiazine-6-carboxamide

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(2Z)-3-benzyl-N-(3-chloro-4-methylphenyl)-4-oxo-2-{[4-(trifluoromethyl)phenyl]imino}tetrahydro-2H-1,3-thiazine-6-carboxamide
SpectraBase Compound ID 31HYKPt1026
InChI InChI=1S/C26H21ClF3N3O2S/c1-16-7-10-20(13-21(16)27)31-24(35)22-14-23(34)33(15-17-5-3-2-4-6-17)25(36-22)32-19-11-8-18(9-12-19)26(28,29)30/h2-13,22H,14-15H2,1H3,(H,31,35)/b32-25-
InChIKey KQIKUQBBORIEHK-MKCFTUBBSA-N
Mol Weight 531.98 g/mol
Molecular Formula C26H21ClF3N3O2S
Exact Mass 531.09951 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DhYAVQyjqrc
Name (2Z)-3-benzyl-N-(3-chloro-4-methylphenyl)-4-oxo-2-{[4-(trifluoromethyl)phenyl]imino}tetrahydro-2H-1,3-thiazine-6-carboxamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H21ClF3N3O2S/c1-16-7-10-20(13-21(16)27)31-24(35)22-14-23(34)33(15-17-5-3-2-4-6-17)25(36-22)32-19-11-8-18(9-12-19)26(28,29)30/h2-13,22H,14-15H2,1H3,(H,31,35)/b32-25-
InChIKey KQIKUQBBORIEHK-MKCFTUBBSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18934
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D11896; Labnumber: MPOL-16370; SBI_ID: SBI-018937
Synonyms 3-benzyl-N-(3-chloro-4-methylphenyl)-4-oxo-2-{[4-(trifluoromethyl)phenyl]imino}tetrahydro-2H-1,3-thiazine-6-carboxamide
Temperature 308 °C