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3-[(2-iodo-N-(phenylmethyl)anilino)-oxomethyl]-3-butenoic acid methyl ester
SpectraBase Compound ID 1VVgasAsYTs
InChI InChI=1S/C19H18INO3/c1-14(12-18(22)24-2)19(23)21(13-15-8-4-3-5-9-15)17-11-7-6-10-16(17)20/h3-11H,1,12-13H2,2H3
InChIKey PYEJAKILBONSPE-UHFFFAOYSA-N
Mol Weight 435.26 g/mol
Molecular Formula C19H18INO3
Exact Mass 435.033138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CNiVFujhLt
Name 3-[(2-iodo-N-(phenylmethyl)anilino)-oxomethyl]-3-butenoic acid methyl ester
Alternate Name(s) Methyl 3-[(2-iodanylphenyl)-(phenylmethyl)carbamoyl]but-3-enoate Methyl 3-[benzyl-(2-iodophenyl)carbamoyl]but-3-enoate
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Formula C19H18INO3
InChI InChI=1S/C19H18INO3/c1-14(12-18(22)24-2)19(23)21(13-15-8-4-3-5-9-15)17-11-7-6-10-16(17)20/h3-11H,1,12-13H2,2H3
InChIKey PYEJAKILBONSPE-UHFFFAOYSA-N
Molecular Weight 435.261 g/mol
SMILES C(CC(=C)C(N(c1c(cccc1)I)Cc1ccccc1)=O)(=O)OC
SPLASH splash10-0006-9102000000-d8c37809b3081a8c46ff
Source of Spectrum J-1-121-15
Wiley ID 1577553