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2-[N-(Benzyloxycarbonyl)-N-(2-iodo-4-carbonylmethoxyphenyl)amino]-1-tosylethene
SpectraBase Compound ID 7mC7A7uCzjJ
InChI InChI=1S/C25H22INO6S/c1-18-8-11-21(12-9-18)34(30,31)15-14-27(25(29)33-17-19-6-4-3-5-7-19)23-13-10-20(16-22(23)26)24(28)32-2/h3-16H,17H2,1-2H3/b15-14+
InChIKey VEVOMFYQKYAUHW-CCEZHUSRSA-N
Mol Weight 591.42 g/mol
Molecular Formula C25H22INO6S
Exact Mass 591.021254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnMnOobNEGq
Name 2-[N-(Benzyloxycarbonyl)-N-(2-iodo-4-carbonylmethoxyphenyl)amino]-1-tosylethene
Alternate Name(s) 2-[N-(Benzyloxycarbonyl)-N-(2-iodo-4-carboxymethoxyphenyl)amino]-1-tosylethene Methyl 4-([(benzyloxy)carbonyl]{(E)-2-[(4-methylphenyl)sulfonyl]ethenyl}amino)-3-iodobenzoate
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Formula C25H22INO6S
InChI InChI=1S/C25H22INO6S/c1-18-8-11-21(12-9-18)34(30,31)15-14-27(25(29)33-17-19-6-4-3-5-7-19)23-13-10-20(16-22(23)26)24(28)32-2/h3-16H,17H2,1-2H3/b15-14+
InChIKey VEVOMFYQKYAUHW-CCEZHUSRSA-N
Molecular Weight 591.416 g/mol
SMILES C(N(\C=C\S(c1ccc(cc1)C)(=O)=O)c1c(cc(C(=O)OC)cc1)I)(OCc1ccccc1)=O
SPLASH splash10-01ox-8693100000-1c502e904f7c3f09d83b
Source of Spectrum F-68-2231-27
Wiley ID 1572000