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4-Oxo-3-(2-phenylethyl)-2-{[4-(trifluoromethoxy)phenyl]imino}-1,3-thiazinane-6-carboxylic acid
SpectraBase Compound ID 14XHDQtUUTD
InChI InChI=1S/C20H17F3N2O4S/c21-20(22,23)29-15-8-6-14(7-9-15)24-19-25(11-10-13-4-2-1-3-5-13)17(26)12-16(30-19)18(27)28/h1-9,16H,10-12H2,(H,27,28)/b24-19+
InChIKey BZKWMVSZSDGTIK-LYBHJNIJSA-N
Mol Weight 438.42 g/mol
Molecular Formula C20H17F3N2O4S
Exact Mass 438.086113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvPkkdlm5fA
Name 4-Oxo-3-(2-phenylethyl)-2-{[4-(trifluoromethoxy)phenyl]imino}-1,3-thiazinane-6-carboxylic acid
Alternate Name(s) (2E)-4-oxo-3-(2-phenylethyl)-2-{[4-(trifluoromethoxy)phenyl]imino}tetrahydro-2H-1,3-thiazine-6-carboxylic acid 4-Oxo-3-phenethyl-2-(4-trifluoromethoxy-phenylimino)-[1,3]thiazinane-6-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17F3N2O4S
InChI InChI=1S/C20H17F3N2O4S/c21-20(22,23)29-15-8-6-14(7-9-15)24-19-25(11-10-13-4-2-1-3-5-13)17(26)12-16(30-19)18(27)28/h1-9,16H,10-12H2,(H,27,28)/b24-19+
InChIKey BZKWMVSZSDGTIK-LYBHJNIJSA-N
Molecular Weight 438.421 g/mol
SMILES OC(C1CC(N(\C(S1)=N/c1ccc(OC(F)(F)F)cc1)CCc1ccccc1)=O)=O
SPLASH splash10-0udi-5942100000-f3e2133d9ed4dc607a75
Wiley ID 1447200