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2-[(4-nitrophenyl)-(tosylamino)methyl]acrylic acid phenyl ester
SpectraBase Compound ID F3r6aNEJKpA
InChI InChI=1S/C23H20N2O6S/c1-16-8-14-21(15-9-16)32(29,30)24-22(18-10-12-19(13-11-18)25(27)28)17(2)23(26)31-20-6-4-3-5-7-20/h3-15,22,24H,2H2,1H3
InChIKey NWGBPGLLSVCOTM-UHFFFAOYSA-N
Mol Weight 452.48 g/mol
Molecular Formula C23H20N2O6S
Exact Mass 452.104208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KRcv8D5pgM
Name 2-[(4-nitrophenyl)-(tosylamino)methyl]acrylic acid phenyl ester
Alternate Name(s) 2-[[(4-methylphenyl)sulfonylamino]-(4-nitrophenyl)methyl]-2-propenoic acid phenyl ester phenyl 2-[(4-nitrophenyl)-(p-tolylsulfonylamino)methyl]prop-2-enoate phenyl 2-[[(4-methylphenyl)sulfonylamino]-(4-nitrophenyl)methyl]prop-2-enoate
Comments Less than 3 mono-isotopic peaks
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Formula C23H20N2O6S
InChI InChI=1S/C23H20N2O6S/c1-16-8-14-21(15-9-16)32(29,30)24-22(18-10-12-19(13-11-18)25(27)28)17(2)23(26)31-20-6-4-3-5-7-20/h3-15,22,24H,2H2,1H3
InChIKey NWGBPGLLSVCOTM-UHFFFAOYSA-N
Molecular Weight 452.481 g/mol
SMILES N(C(C(C(=O)Oc1ccccc1)=C)c1ccc(cc1)N(=O)=O)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0a4i-0902000000-efa62ac912b4f4d52f7e
Source of Spectrum F-69-423-6
Wiley ID 1594494