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2-[N-Formyl-N-(2-carbomethoxyphenyl)amido]-1-tosylhept-2-ene
SpectraBase Compound ID FTyk3dJYSuW
InChI InChI=1S/C23H27NO5S/c1-4-5-6-9-19(16-30(27,28)20-14-12-18(2)13-15-20)24(17-25)22-11-8-7-10-21(22)23(26)29-3/h7-15,17H,4-6,16H2,1-3H3/b19-9+
InChIKey GQIOPOLFRGAGNQ-DJKKODMXSA-N
Mol Weight 429.53 g/mol
Molecular Formula C23H27NO5S
Exact Mass 429.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xNRRTB9Dm8
Name 2-[N-Formyl-N-(2-carbomethoxyphenyl)amido]-1-tosylhept-2-ene
Alternate Name(s) 2-[formyl-[(E)-1-(4-methylphenyl)sulfonylhept-2-en-2-yl]amino]benzoic acid methyl ester Methyl 2-[formyl-[(E)-1-(4-methylphenyl)sulfonylhept-2-en-2-yl]amino]benzoate Methyl 2-[formyl-[(E)-1-(p-tolylsulfonylmethyl)hex-1-enyl]amino]benzoate Methyl 2-[methanoyl-[(E)-1-(4-methylphenyl)sulfonylhept-2-en-2-yl]amino]benzoate
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Formula C23H27NO5S
InChI InChI=1S/C23H27NO5S/c1-4-5-6-9-19(16-30(27,28)20-14-12-18(2)13-15-20)24(17-25)22-11-8-7-10-21(22)23(26)29-3/h7-15,17H,4-6,16H2,1-3H3/b19-9+
InChIKey GQIOPOLFRGAGNQ-DJKKODMXSA-N
Molecular Weight 429.531 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)\C(N(c1c(C(=O)OC)cccc1)C=O)=C/CCCC
SPLASH splash10-0002-0090000000-08f88b83967e07ef7f26
Source of Spectrum F-68-2229-6
Wiley ID 1572010