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3-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid ethyl ester
SpectraBase Compound ID 24ZFWiQMZ8j
InChI InChI=1S/C19H19N3O8/c1-3-30-18(23)11-17(12-4-6-16(29-2)7-5-12)20-19(24)13-8-14(21(25)26)10-15(9-13)22(27)28/h4-10,17H,3,11H2,1-2H3,(H,20,24)
InChIKey XREDYUISRFIUGM-UHFFFAOYSA-N
Mol Weight 417.37 g/mol
Molecular Formula C19H19N3O8
Exact Mass 417.117215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rAnFnlcJhj
Name 3-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid ethyl ester
Alternate Name(s) Ethyl 3-[(3,5-dinitrobenzoyl)amino]-3-(4-methoxyphenyl)propanoate Ethyl 3-[(3,5-dinitrophenyl)carbonylamino]-3-(4-methoxyphenyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19N3O8
InChI InChI=1S/C19H19N3O8/c1-3-30-18(23)11-17(12-4-6-16(29-2)7-5-12)20-19(24)13-8-14(21(25)26)10-15(9-13)22(27)28/h4-10,17H,3,11H2,1-2H3,(H,20,24)
InChIKey XREDYUISRFIUGM-UHFFFAOYSA-N
Molecular Weight 417.374 g/mol
SMILES N(C(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)C(CC(=O)OCC)c1ccc(cc1)OC
SPLASH splash10-00ea-4940000000-952783003c6a5cda31e2
Wiley ID 1443419