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(E)-8-keto-8-(tosylamino)oct-2-enoic acid methyl ester
SpectraBase Compound ID BMauqTvDYqa
InChI InChI=1S/C16H21NO5S/c1-13-9-11-14(12-10-13)23(20,21)17-15(18)7-5-3-4-6-8-16(19)22-2/h6,8-12H,3-5,7H2,1-2H3,(H,17,18)/b8-6+
InChIKey VQJLCUCVASIQAP-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 6HIhXNnF0kk
Name (E)-8-keto-8-(tosylamino)oct-2-enoic acid methyl ester
Alternate Name(s) (E)-8-[(4-methylphenyl)sulfonylamino]-8-oxo-2-octenoic acid methyl ester Methyl (E)-8-oxo-8-(p-tolylsulfonylamino)oct-2-enoate Methyl (E)-8-[(4-methylphenyl)sulfonylamino]-8-oxidanylidene-oct-2-enoate Methyl (E)-8-[(4-methylphenyl)sulfonylamino]-8-oxooct-2-enoate
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Formula C16H21NO5S
InChI InChI=1S/C16H21NO5S/c1-13-9-11-14(12-10-13)23(20,21)17-15(18)7-5-3-4-6-8-16(19)22-2/h6,8-12H,3-5,7H2,1-2H3,(H,17,18)/b8-6+
InChIKey VQJLCUCVASIQAP-SOFGYWHQSA-N
Molecular Weight 339.406 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(=O)CCCC\C=C\C(=O)OC
SPLASH splash10-0a4u-3900000000-536617d31b42b48862e0
Source of Spectrum KC-0-460-17
Wiley ID 787358