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3-(4-Isopropoxyphenyl)-3-[(4-nitrobenzoyl)amino]propanoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(4-Isopropoxyphenyl)-3-[(4-nitrobenzoyl)amino]propanoic acid
SpectraBase Compound ID GmidVQz06KF
InChI InChI=1S/C19H20N2O6/c1-12(2)27-16-9-5-13(6-10-16)17(11-18(22)23)20-19(24)14-3-7-15(8-4-14)21(25)26/h3-10,12,17H,11H2,1-2H3,(H,20,24)(H,22,23)
InChIKey YZFQEVJRECTQQB-UHFFFAOYSA-N
Mol Weight 372.38 g/mol
Molecular Formula C19H20N2O6
Exact Mass 372.132136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 109llhnW46z
Name 3-(4-Isopropoxyphenyl)-3-[(4-nitrobenzoyl)amino]propanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.132136366 u
Formula C19H20N2O6
InChI InChI=1S/C19H20N2O6/c1-12(2)27-16-9-5-13(6-10-16)17(11-18(22)23)20-19(24)14-3-7-15(8-4-14)21(25)26/h3-10,12,17H,11H2,1-2H3,(H,20,24)(H,22,23)
InChIKey YZFQEVJRECTQQB-UHFFFAOYSA-N
Molecular Weight 372.377 g/mol
SMILES C=1C=C(C=CC1C(CC(O)=O)NC(=O)C1=CC=C(C=C1)N(=O)=O)OC(C)C