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4-({[2-({4-[chloro(difluoro)methoxy]phenyl}imino)-3-methyl-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid
SpectraBase Compound ID DYgIsnC0EVf
InChI InChI=1S/C20H16ClF2N3O5S/c1-26-16(27)10-15(17(28)24-12-4-2-11(3-5-12)18(29)30)32-19(26)25-13-6-8-14(9-7-13)31-20(21,22)23/h2-9,15H,10H2,1H3,(H,24,28)(H,29,30)/b25-19+
InChIKey PBPGJTZRLOGRLT-NCELDCMTSA-N
Mol Weight 483.87 g/mol
Molecular Formula C20H16ClF2N3O5S
Exact Mass 483.046726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5KaQFBoIxB
Name 4-({[2-({4-[chloro(difluoro)methoxy]phenyl}imino)-3-methyl-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16ClF2N3O5S
InChI InChI=1S/C20H16ClF2N3O5S/c1-26-16(27)10-15(17(28)24-12-4-2-11(3-5-12)18(29)30)32-19(26)25-13-6-8-14(9-7-13)31-20(21,22)23/h2-9,15H,10H2,1H3,(H,24,28)(H,29,30)/b25-19+
InChIKey PBPGJTZRLOGRLT-NCELDCMTSA-N
Molecular Weight 483.874 g/mol
SMILES N(C(C1CC(N(\C(S1)=N/c1ccc(OC(F)(Cl)F)cc1)C)=O)=O)c1ccc(C(=O)O)cc1
SPLASH splash10-06dj-9833000000-0db7baeca55632c5d73a
Wiley ID 1458783