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5-O-ethyl 7-O-methyl 6-(3-chlorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzothiazine-5,7-dicarboxylate
SpectraBase Compound ID 8BFKVxz8IZV
InChI InChI=1S/C20H20ClNO4S/c1-4-26-20(24)16-15(12-6-5-7-13(21)10-12)14(19(23)25-3)11(2)18-17(16)22-8-9-27-18/h5-7,10,22H,4,8-9H2,1-3H3
InChIKey NNENWPYTWGUQBL-UHFFFAOYSA-N
Mol Weight 405.9 g/mol
Molecular Formula C20H20ClNO4S
Exact Mass 405.080157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qQ1uZaQuKm
Name 5-O-ethyl 7-O-methyl 6-(3-chlorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzothiazine-5,7-dicarboxylate
Alternate Name(s) 6-(3-Chlorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzothiazine-5,7-dicarboxylic acid O5-ethyl ester O7-methyl ester O5-ethyl O7-methyl 6-(3-chlorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzothiazine-5,7-dicarboxylate
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Formula C20H20ClNO4S
InChI InChI=1S/C20H20ClNO4S/c1-4-26-20(24)16-15(12-6-5-7-13(21)10-12)14(19(23)25-3)11(2)18-17(16)22-8-9-27-18/h5-7,10,22H,4,8-9H2,1-3H3
InChIKey NNENWPYTWGUQBL-UHFFFAOYSA-N
Molecular Weight 405.896 g/mol
SMILES N1CCSc2c(c(c(c(c12)C(=O)OCC)-c1cc(Cl)ccc1)C(=O)OC)C
SPLASH splash10-0a4i-0006900000-79ac34eb4fbe0d7942b3
Source of Spectrum F-55-7920-5
Wiley ID 838331