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4-[allyloxycarbonyl-(2-iodo-4,6-dimethylphenyl)-amino]-but-2- enoic acid methyl ester
SpectraBase Compound ID Ei9ymw2vsf0
InChI InChI=1S/C17H20INO4/c1-5-9-23-17(21)19(8-6-7-15(20)22-4)16-13(3)10-12(2)11-14(16)18/h5-7,10-11H,1,8-9H2,2-4H3/b7-6+
InChIKey PRGVOVRISHCBEA-VOTSOKGWSA-N
Mol Weight 429.25 g/mol
Molecular Formula C17H20INO4
Exact Mass 429.043703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7d9EZkzrYF
Name 4-[allyloxycarbonyl-(2-iodo-4,6-dimethylphenyl)-amino]-but-2- enoic acid methyl ester
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Formula C17H20INO4
InChI InChI=1S/C17H20INO4/c1-5-9-23-17(21)19(8-6-7-15(20)22-4)16-13(3)10-12(2)11-14(16)18/h5-7,10-11H,1,8-9H2,2-4H3/b7-6+
InChIKey PRGVOVRISHCBEA-VOTSOKGWSA-N
Literature Reference DOI 10.1021/ol802616u
Molecular Weight 429.254 g/mol
SMILES c1(c(c(I)cc(C)c1)N(C(OCC=C)=O)C\C=C\C(OC)=O)C
SPLASH splash10-0aos-2901100000-0008c71702c78bd89cf2
Source of Spectrum A1-11-249/SMS21-5a
Synonyms (E)-methyl 4-(((allyloxy)carbonyl)(2-iodo-4,6-dimethylphenyl)amino)but-2-enoate
Wiley ID 1756492