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N-(Ethoxyfumaroyl)-2-iodo-3-(N-tert-butoxycarbonylamino)thiophene
SpectraBase Compound ID LFVW4mNG3wB
InChI InChI=1S/C15H18INO5S/c1-5-21-12(19)7-6-11(18)17(10-8-9-23-13(10)16)14(20)22-15(2,3)4/h6-9H,5H2,1-4H3/b7-6+
InChIKey HGVHLQNQSLSUGD-VOTSOKGWSA-N
Mol Weight 451.28 g/mol
Molecular Formula C15H18INO5S
Exact Mass 450.995039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEa9BuNExd0
Name N-(Ethoxyfumaroyl)-2-iodo-3-(N-tert-butoxycarbonylamino)thiophene
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Formula C15H18INO5S
InChI InChI=1S/C15H18INO5S/c1-5-21-12(19)7-6-11(18)17(10-8-9-23-13(10)16)14(20)22-15(2,3)4/h6-9H,5H2,1-4H3/b7-6+
InChIKey HGVHLQNQSLSUGD-VOTSOKGWSA-N
Molecular Weight 451.275 g/mol
SMILES C(N(c1c(scc1)I)C(\C=C\C(=O)OCC)=O)(OC(C)(C)C)=O
SPLASH splash10-0zos-6292000000-83a97bd500aecec675e0
Source of Spectrum F-51-10334-9
Synonyms Ethyl (2E)-4-[(tert-butoxycarbonyl)(2-iodo-3-thienyl)amino]-4-oxo-2-butenoate
Wiley ID 793534