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(E)-7-keto-7-(tosylamino)hept-2-enoic acid ethyl ester
SpectraBase Compound ID 2OQhVldyhDF
InChI InChI=1S/C16H21NO5S/c1-3-22-16(19)8-6-4-5-7-15(18)17-23(20,21)14-11-9-13(2)10-12-14/h6,8-12H,3-5,7H2,1-2H3,(H,17,18)/b8-6+
InChIKey OVTOSVXEJOSXNL-SOFGYWHQSA-N
Mol Weight 339.41 g/mol
Molecular Formula C16H21NO5S
Exact Mass 339.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6TMszUcc9S
Name (E)-7-keto-7-(tosylamino)hept-2-enoic acid ethyl ester
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Formula C16H21NO5S
InChI InChI=1S/C16H21NO5S/c1-3-22-16(19)8-6-4-5-7-15(18)17-23(20,21)14-11-9-13(2)10-12-14/h6,8-12H,3-5,7H2,1-2H3,(H,17,18)/b8-6+
InChIKey OVTOSVXEJOSXNL-SOFGYWHQSA-N
Molecular Weight 339.406 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(=O)CCC\C=C\C(=O)OCC
SPLASH splash10-0a4l-4902000000-caf37732f39409c1e029
Source of Spectrum KC-0-461-15
Synonyms (E)-7-[(4-methylphenyl)sulfonylamino]-7-oxo-2-heptenoic acid ethyl ester Ethyl (E)-7-oxo-7-(p-tolylsulfonylamino)hept-2-enoate Ethyl (E)-7-[(4-methylphenyl)sulfonylamino]-7-oxidanylidene-hept-2-enoate Ethyl (E)-7-[(4-methylphenyl)sulfonylamino]-7-oxohept-2-enoate
Wiley ID 787353