For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-[(4-Chloranyl-3-nitro-phenyl)carbonylamino]-3-(4-methoxyphenyl)propanoic acid

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

3-[(4-Chloranyl-3-nitro-phenyl)carbonylamino]-3-(4-methoxyphenyl)propanoic acid
SpectraBase Compound ID 1AOjzzuBgyF
InChI InChI=1S/C17H15ClN2O6/c1-26-12-5-2-10(3-6-12)14(9-16(21)22)19-17(23)11-4-7-13(18)15(8-11)20(24)25/h2-8,14H,9H2,1H3,(H,19,23)(H,21,22)
InChIKey GLKFQWBYYXTKCN-UHFFFAOYSA-N
Mol Weight 378.77 g/mol
Molecular Formula C17H15ClN2O6
Exact Mass 378.061864 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7cdVi2ah0JA
Name 3-[(4-Chloranyl-3-nitro-phenyl)carbonylamino]-3-(4-methoxyphenyl)propanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.061863905 u
Formula C17H15ClN2O6
InChI InChI=1S/C17H15ClN2O6/c1-26-12-5-2-10(3-6-12)14(9-16(21)22)19-17(23)11-4-7-13(18)15(8-11)20(24)25/h2-8,14H,9H2,1H3,(H,19,23)(H,21,22)
InChIKey GLKFQWBYYXTKCN-UHFFFAOYSA-N
Molecular Weight 378.768 g/mol
SMILES COC=1C=CC(C(CC(=O)O)NC(C2=CC(N(=O)=O)=C(C=C2)Cl)=O)=CC1