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2-(2-Amino-benzoylamino)-succinic acid, 4-benzyl ester

View entire compound with spectra: 1 NMR

2-(2-Amino-benzoylamino)-succinic acid, 4-benzyl ester
SpectraBase Compound ID vCDmYLkoTO
InChI InChI=1S/C18H18N2O5/c19-14-9-5-4-8-13(14)17(22)20-15(18(23)24)10-16(21)25-11-12-6-2-1-3-7-12/h1-9,15H,10-11,19H2,(H,20,22)(H,23,24)
InChIKey IVUZJZMFOPWLAJ-UHFFFAOYSA-N
Mol Weight 342.35 g/mol
Molecular Formula C18H18N2O5
Exact Mass 342.121572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E3124zwJqfB
Name 2-(2-Amino-benzoylamino)-succinic acid, 4-benzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 342.121571683 u
Formula C18H18N2O5
InChI InChI=1S/C18H18N2O5/c19-14-9-5-4-8-13(14)17(22)20-15(18(23)24)10-16(21)25-11-12-6-2-1-3-7-12/h1-9,15H,10-11,19H2,(H,20,22)(H,23,24)
InChIKey IVUZJZMFOPWLAJ-UHFFFAOYSA-N
Molecular Weight 342.351 g/mol
SMILES C(C1=C(N)C=CC=C1)(NC(CC(=O)OCC1=CC=CC=C1)C(=O)O)=O