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3-(4-Ethoxy-3-methoxy-phenyl)-3-[(4-methyl-3-nitro-benzoyl)amino]propanoic acid
SpectraBase Compound ID 7ZInmwjJwoV
InChI InChI=1S/C20H22N2O7/c1-4-29-17-8-7-13(10-18(17)28-3)15(11-19(23)24)21-20(25)14-6-5-12(2)16(9-14)22(26)27/h5-10,15H,4,11H2,1-3H3,(H,21,25)(H,23,24)
InChIKey QAINEJUFVOVFCC-UHFFFAOYSA-N
Mol Weight 402.4 g/mol
Molecular Formula C20H22N2O7
Exact Mass 402.142701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLeAxo19GGG
Name 3-(4-Ethoxy-3-methoxy-phenyl)-3-[(4-methyl-3-nitro-benzoyl)amino]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O7
InChI InChI=1S/C20H22N2O7/c1-4-29-17-8-7-13(10-18(17)28-3)15(11-19(23)24)21-20(25)14-6-5-12(2)16(9-14)22(26)27/h5-10,15H,4,11H2,1-3H3,(H,21,25)(H,23,24)
InChIKey QAINEJUFVOVFCC-UHFFFAOYSA-N
Molecular Weight 402.403 g/mol
SMILES N(C(c1cc(N(=O)=O)c(cc1)C)=O)C(CC(=O)O)c1cc(OC)c(cc1)OCC
SPLASH splash10-01pc-5911000000-4f05fb2599be26b12e6c
Synonyms 3-(4-Ethoxy-3-methoxy-phenyl)-3-[(4-methyl-3-nitro-phenyl)carbonylamino]propanoic acid 3-(4-Ethoxy-3-methoxyphenyl)-3-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]propanoic acid 3-(4-Ethoxy-3-methoxyphenyl)-3-[(4-methyl-3-nitrobenzoyl)amino]propanoic acid
Wiley ID 1443692