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3-(Ethoxycarbonyl)-2-propenyl 4-[3-iodo-2-((N-tert-butoxycarbonyl)thienyl)amino]but-2-enoate
SpectraBase Compound ID Gz1vryOEXkT
InChI InChI=1S/C19H24INO6S/c1-5-25-15(22)9-7-12-26-16(23)8-6-11-21(17-14(20)10-13-28-17)18(24)27-19(2,3)4/h6-10,13H,5,11-12H2,1-4H3/b8-6+,9-7+
InChIKey QOQMPYNBXBASTE-CDJQDVQCSA-N
Mol Weight 521.37 g/mol
Molecular Formula C19H24INO6S
Exact Mass 521.036904 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7iTYLjnGzCg
Name 3-(Ethoxycarbonyl)-2-propenyl 4-[3-iodo-2-((N-tert-butoxycarbonyl)thienyl)amino]but-2-enoate
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Formula C19H24INO6S
InChI InChI=1S/C19H24INO6S/c1-5-25-15(22)9-7-12-26-16(23)8-6-11-21(17-14(20)10-13-28-17)18(24)27-19(2,3)4/h6-10,13H,5,11-12H2,1-4H3/b8-6+,9-7+
InChIKey QOQMPYNBXBASTE-CDJQDVQCSA-N
Molecular Weight 521.366 g/mol
SMILES c1(N(C(OC(C)(C)C)=O)C\C=C\C(=O)OC\C=C\C(=O)OCC)c(ccs1)I
SPLASH splash10-0ab9-9201800000-875d8a07e34d415ecdc3
Source of Spectrum F-51-10333-12
Synonyms (2E)-4-ethoxy-4-oxo-2-butenyl (2E)-4-[(tert-butoxycarbonyl)(3-iodo-2-thienyl)amino]-2-butenoate
Wiley ID 793536