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3-amino-4-[2-(2-amino-4-carbethoxy-phenyl)ethyl]benzoic acid ethyl ester
SpectraBase Compound ID LfI689cJpqZ
InChI InChI=1S/C20H24N2O4/c1-3-25-19(23)15-9-7-13(17(21)11-15)5-6-14-8-10-16(12-18(14)22)20(24)26-4-2/h7-12H,3-6,21-22H2,1-2H3
InChIKey NKFUBJKUHSMWIF-UHFFFAOYSA-N
Mol Weight 356.42 g/mol
Molecular Formula C20H24N2O4
Exact Mass 356.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoKpYuxrkNN
Name 3-amino-4-[2-(2-amino-4-carbethoxy-phenyl)ethyl]benzoic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C20H24N2O4
InChI InChI=1S/C20H24N2O4/c1-3-25-19(23)15-9-7-13(17(21)11-15)5-6-14-8-10-16(12-18(14)22)20(24)26-4-2/h7-12H,3-6,21-22H2,1-2H3
InChIKey NKFUBJKUHSMWIF-UHFFFAOYSA-N
Molecular Weight 356.422 g/mol
SMILES Nc1cc(ccc1CCc1c(cc(cc1)C(=O)OCC)N)C(=O)OCC
SPLASH splash10-004i-0901000000-d5b5ef509927aa58e644
Source of Spectrum J-58-5218-20
Synonyms 3-amino-4-[2-(2-amino-4-ethoxycarbonylphenyl)ethyl]benzoic acid ethyl ester ethyl 3-azanyl-4-[2-(2-azanyl-4-ethoxycarbonyl-phenyl)ethyl]benzoate ethyl 3-amino-4-[2-(2-amino-4-ethoxycarbonylphenyl)ethyl]benzoate
Wiley ID 1345860