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(2E)-8-Methyl-7-{[(4-methylphenyl)sulfonyl]amino}-1-phenylnon-2-en-1-yl acetate
SpectraBase Compound ID 5pKL2Au5zE9
InChI InChI=1S/C25H33NO4S/c1-19(2)24(26-31(28,29)23-17-15-20(3)16-18-23)13-9-6-10-14-25(30-21(4)27)22-11-7-5-8-12-22/h5,7-8,10-12,14-19,24-26H,6,9,13H2,1-4H3/b14-10+
InChIKey SCBIPVFXIIEPGO-GXDHUFHOSA-N
Mol Weight 443.6 g/mol
Molecular Formula C25H33NO4S
Exact Mass 443.21303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQe9ej7TesY
Name (2E)-8-Methyl-7-{[(4-methylphenyl)sulfonyl]amino}-1-phenylnon-2-en-1-yl acetate
Alternate Name(s) (E)-8-methyl-7-(4-methylphenylsulfonamido)-1-phenylnon-2-en-1-yl acetate Acetic acid [(E)-8-methyl-7-[(4-methylphenyl)sulfonylamino]-1-phenylnon-2-enyl] ester [(E)-8-methyl-7-[(4-methylphenyl)sulfonylamino]-1-phenylnon-2-enyl] acetate [(E)-8-methyl-1-phenyl-7-(p-tolylsulfonylamino)non-2-enyl] acetate [(E)-8-methyl-7-[(4-methylphenyl)sulfonylamino]-1-phenyl-non-2-enyl] ethanoate
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Formula C25H33NO4S
InChI InChI=1S/C25H33NO4S/c1-19(2)24(26-31(28,29)23-17-15-20(3)16-18-23)13-9-6-10-14-25(30-21(4)27)22-11-7-5-8-12-22/h5,7-8,10-12,14-19,24-26H,6,9,13H2,1-4H3/b14-10+
InChIKey SCBIPVFXIIEPGO-GXDHUFHOSA-N
Literature Reference DOI 10.1021/ol100422d
Molecular Weight 443.602 g/mol
SMILES N(C(CCC\C=C\C(OC(=O)C)c1ccccc1)C(C)C)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-006x-9300000000-7ccb65495e3a9a686279
Source of Spectrum A1-12-1808/SMS13-3a
Wiley ID 1752079