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2-{[4-({4-[(Carboxymethyl)amino)phenyl)methyl)phenyl]amino)acetic acid

View entire compound with spectra: 1 NMR

2-{[4-({4-[(Carboxymethyl)amino)phenyl)methyl)phenyl]amino)acetic acid
SpectraBase Compound ID 2kxu1H4SvFt
InChI InChI=1S/C17H18N2O4/c20-16(21)10-18-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)19-11-17(22)23/h1-8,18-19H,9-11H2,(H,20,21)(H,22,23)
InChIKey JFTBSGLJCAWKIH-UHFFFAOYSA-N
Mol Weight 314.34 g/mol
Molecular Formula C17H18N2O4
Exact Mass 314.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LibGSAIjgWg
Name 2-{[4-({4-[(Carboxymethyl)amino)phenyl)methyl)phenyl]amino)acetic acid
Comments Computed using HOSE algorithm
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Exact Mass 314.126657064 u
Formula C17H18N2O4
InChI InChI=1S/C17H18N2O4/c20-16(21)10-18-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)19-11-17(22)23/h1-8,18-19H,9-11H2,(H,20,21)(H,22,23)
InChIKey JFTBSGLJCAWKIH-UHFFFAOYSA-N
Molecular Weight 314.341 g/mol
SMILES C(C1=CC=C(C=C1)NCC(O)=O)C1=CC=C(C=C1)NCC(O)=O