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4-(Benzylamino)-3-[(2-furylmethyl)amino]-4-oxobutanoic acid

View entire compound with spectra: 2 NMR

4-(Benzylamino)-3-[(2-furylmethyl)amino]-4-oxobutanoic acid
SpectraBase Compound ID MbLNTncAMV
InChI InChI=1S/C16H18N2O4/c19-15(20)9-14(17-11-13-7-4-8-22-13)16(21)18-10-12-5-2-1-3-6-12/h1-8,14,17H,9-11H2,(H,18,21)(H,19,20)
InChIKey NZSKLZIUWKPNGH-UHFFFAOYSA-N
Mol Weight 302.33 g/mol
Molecular Formula C16H18N2O4
Exact Mass 302.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Dtel8CQaeB
Name 4-(Benzylamino)-3-[(2-furylmethyl)amino]-4-oxobutanoic acid
Comments Computed using HOSE algorithm
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Exact Mass 302.126657064 u
Formula C16H18N2O4
InChI InChI=1S/C16H18N2O4/c19-15(20)9-14(17-11-13-7-4-8-22-13)16(21)18-10-12-5-2-1-3-6-12/h1-8,14,17H,9-11H2,(H,18,21)(H,19,20)
InChIKey NZSKLZIUWKPNGH-UHFFFAOYSA-N
Molecular Weight 302.330 g/mol
SMILES N(C(C(CC(=O)O)NCC=1OC=CC1)=O)CC=1C=CC=CC1