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2-[Benzyl(carbobenzoxy)amino]-3-phenyl-propionic acid methyl ester
SpectraBase Compound ID ATnYiPLfb43
InChI InChI=1S/C25H25NO4/c1-29-24(27)23(17-20-11-5-2-6-12-20)26(18-21-13-7-3-8-14-21)25(28)30-19-22-15-9-4-10-16-22/h2-16,23H,17-19H2,1H3
InChIKey GLKKZEARDYFQRG-UHFFFAOYSA-N
Mol Weight 403.48 g/mol
Molecular Formula C25H25NO4
Exact Mass 403.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LSskdrcS53n
Name 2-[Benzyl(carbobenzoxy)amino]-3-phenyl-propionic acid methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 403.178358285 u
Formula C25H25NO4
InChI InChI=1S/C25H25NO4/c1-29-24(27)23(17-20-11-5-2-6-12-20)26(18-21-13-7-3-8-14-21)25(28)30-19-22-15-9-4-10-16-22/h2-16,23H,17-19H2,1H3
InChIKey GLKKZEARDYFQRG-UHFFFAOYSA-N
Molecular Weight 403.478 g/mol
SMILES C(N(C(C(=O)OC)CC=1C=CC=CC1)CC=1C=CC=CC1)(OCC1=CC=CC=C1)=O