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3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid
SpectraBase Compound ID DfCzMo4XTmO
InChI InChI=1S/C19H19ClN2O7/c1-3-29-16-7-5-11(9-17(16)28-2)14(10-18(23)24)21-19(25)12-4-6-13(20)15(8-12)22(26)27/h4-9,14H,3,10H2,1-2H3,(H,21,25)(H,23,24)
InChIKey UGCONJXCBMDNAS-UHFFFAOYSA-N
Mol Weight 422.82 g/mol
Molecular Formula C19H19ClN2O7
Exact Mass 422.088079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pUfxP28WT0
Name 3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid
Alternate Name(s) 3-[(4-chloro-3-nitro-benzoyl)amino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid 3-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid 3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19ClN2O7
InChI InChI=1S/C19H19ClN2O7/c1-3-29-16-7-5-11(9-17(16)28-2)14(10-18(23)24)21-19(25)12-4-6-13(20)15(8-12)22(26)27/h4-9,14H,3,10H2,1-2H3,(H,21,25)(H,23,24)
InChIKey UGCONJXCBMDNAS-UHFFFAOYSA-N
Molecular Weight 422.821 g/mol
SMILES N(C(c1cc(N(=O)=O)c(cc1)Cl)=O)C(CC(=O)O)c1cc(OC)c(cc1)OCC
SPLASH splash10-001c-3900000000-7c537da1d016bc49ec8d
Wiley ID 1443553