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2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide
SpectraBase Compound ID Jazff1rzPXu
InChI InChI=1S/C22H21ClF3N3O3S/c1-3-10-32-15-7-4-13(5-8-15)27-20(31)18-12-19(30)29(2)21(33-18)28-14-6-9-17(23)16(11-14)22(24,25)26/h4-9,11,18H,3,10,12H2,1-2H3,(H,27,31)/b28-21+
InChIKey DYNLJNXRCHMSJK-SGWCAAJKSA-N
Mol Weight 499.94 g/mol
Molecular Formula C22H21ClF3N3O3S
Exact Mass 499.094425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41qHwJ8365x
Name 2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21ClF3N3O3S
InChI InChI=1S/C22H21ClF3N3O3S/c1-3-10-32-15-7-4-13(5-8-15)27-20(31)18-12-19(30)29(2)21(33-18)28-14-6-9-17(23)16(11-14)22(24,25)26/h4-9,11,18H,3,10,12H2,1-2H3,(H,27,31)/b28-21+
InChIKey DYNLJNXRCHMSJK-SGWCAAJKSA-N
Molecular Weight 499.936 g/mol
SMILES N(C(C1CC(N(\C(S1)=N/c1cc(C(F)(F)F)c(cc1)Cl)C)=O)=O)c1ccc(cc1)OCCC
SPLASH splash10-0pb9-7911100000-ca23f62afdbc30afa91f
Wiley ID 1459375