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3-(4-Ethoxy-phenyl)-3-(2-methyl-3-nitro-benzoylamino)-propionic acid ethyl ester
SpectraBase Compound ID A8hK3PIyyqy
InChI InChI=1S/C21H24N2O6/c1-4-28-16-11-9-15(10-12-16)18(13-20(24)29-5-2)22-21(25)17-7-6-8-19(14(17)3)23(26)27/h6-12,18H,4-5,13H2,1-3H3,(H,22,25)
InChIKey MZTZCOWTKREGLG-UHFFFAOYSA-N
Mol Weight 400.43 g/mol
Molecular Formula C21H24N2O6
Exact Mass 400.163436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GjxuIvdxXQ
Name 3-(4-Ethoxy-phenyl)-3-(2-methyl-3-nitro-benzoylamino)-propionic acid ethyl ester
Alternate Name(s) Ethyl 3-(4-ethoxyphenyl)-3-[(2-methyl-3-nitrobenzoyl)amino]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O6
InChI InChI=1S/C21H24N2O6/c1-4-28-16-11-9-15(10-12-16)18(13-20(24)29-5-2)22-21(25)17-7-6-8-19(14(17)3)23(26)27/h6-12,18H,4-5,13H2,1-3H3,(H,22,25)
InChIKey MZTZCOWTKREGLG-UHFFFAOYSA-N
Molecular Weight 400.431 g/mol
SMILES N(C(c1ccc(cc1)OCC)CC(OCC)=O)C(=O)c1c(c(ccc1)N(=O)=O)C
SPLASH splash10-000i-1591000000-aeeaebbc493a3e689de0
Wiley ID 1445273