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4-Iodo-N-methyl-N-[(phenylmethoxy)carbonyl]-L-phenylalanine
SpectraBase Compound ID KyLEgSpuOY2
InChI InChI=1S/C18H18INO4/c1-20(18(23)24-12-14-5-3-2-4-6-14)16(17(21)22)11-13-7-9-15(19)10-8-13/h2-10,16H,11-12H2,1H3,(H,21,22)/t16-/m0/s1
InChIKey LLBCRILYVRHBNQ-INIZCTEOSA-N
Mol Weight 439.25 g/mol
Molecular Formula C18H18INO4
Exact Mass 439.028053 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EoIWeTU4ZVo
Name 4-Iodo-N-methyl-N-[(phenylmethoxy)carbonyl]-L-phenylalanine
Alternate Name(s) (2S)-2-[[(benzyloxy)carbonyl](methyl)amino]-3-(4-iodophenyl)propanoic acid (2S)-2-[benzyloxycarbonyl(methyl)amino]-3-(4-iodophenyl)propanoic acid (2S)-3-(4-iodophenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid
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Formula C18H18INO4
InChI InChI=1S/C18H18INO4/c1-20(18(23)24-12-14-5-3-2-4-6-14)16(17(21)22)11-13-7-9-15(19)10-8-13/h2-10,16H,11-12H2,1H3,(H,21,22)/t16-/m0/s1
InChIKey LLBCRILYVRHBNQ-INIZCTEOSA-N
Molecular Weight 439.249 g/mol
SMILES OC([C@@](N(C(OCc1ccccc1)=O)C)(Cc1ccc(cc1)I)[H])=O
SPLASH splash10-0006-9005400000-b148ca37aa20cf53105f
Source of Spectrum C-115-3428-31
Wiley ID 1384369