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4-[t-Butyloxycarbonyl-(4,6-dibromo-2-iodo-6-phenyl)-amino]-but-2-enoic acid methyl ester
SpectraBase Compound ID 17PwjB6HnFA
InChI InChI=1S/C16H18Br2INO4/c1-16(2,3)24-15(22)20(7-5-6-13(21)23-4)14-11(18)8-10(17)9-12(14)19/h5-6,8-9H,7H2,1-4H3/b6-5+
InChIKey XQRDFXUQJQJBHT-AATRIKPKSA-N
Mol Weight 575.04 g/mol
Molecular Formula C16H18Br2INO4
Exact Mass 572.864729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSKJJ2K1NSS
Name 4-[t-Butyloxycarbonyl-(4,6-dibromo-2-iodo-6-phenyl)-amino]-but-2-enoic acid methyl ester
Alternate Name(s) (E)-methyl 4-((tert-butoxycarbonyl)(2,4-dibromo-6-iodophenyl)amino)but-2-enoate
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Formula C16H18Br2INO4
InChI InChI=1S/C16H18Br2INO4/c1-16(2,3)24-15(22)20(7-5-6-13(21)23-4)14-11(18)8-10(17)9-12(14)19/h5-6,8-9H,7H2,1-4H3/b6-5+
InChIKey XQRDFXUQJQJBHT-AATRIKPKSA-N
Literature Reference DOI 10.1021/ol802616u
Molecular Weight 575.035 g/mol
SMILES c1(c(N(C\C=C\C(OC)=O)C(=O)OC(C)(C)C)c(I)cc(Br)c1)Br
SPLASH splash10-0a4l-9000010000-08212f098520af9216b9
Source of Spectrum A1-11-249/SMS29-S21
Wiley ID 1756501