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N-(E)-stilbenyloxymethylcarbonyl-b-phenyl-b-alanine methyl ester

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

N-(E)-stilbenyloxymethylcarbonyl-b-phenyl-b-alanine methyl ester
SpectraBase Compound ID FyN3wLovjcu
InChI InChI=1S/C26H25NO4/c1-30-26(29)18-24(22-10-6-3-7-11-22)27-25(28)19-31-23-16-14-21(15-17-23)13-12-20-8-4-2-5-9-20/h2-17,24H,18-19H2,1H3,(H,27,28)/b13-12+
InChIKey VSLLACDSVMYSLC-OUKQBFOZSA-N
Mol Weight 415.49 g/mol
Molecular Formula C26H25NO4
Exact Mass 415.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FNSQ4wpitPf
Name N-(E)-Stilbenyloxymethylcarbonyl-B-phenyl-B-alanine methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 415.178358285 u
Formula C26H25NO4
InChI InChI=1S/C26H25NO4/c1-30-26(29)18-24(22-10-6-3-7-11-22)27-25(28)19-31-23-16-14-21(15-17-23)13-12-20-8-4-2-5-9-20/h2-17,24H,18-19H2,1H3,(H,27,28)/b13-12+
InChIKey VSLLACDSVMYSLC-OUKQBFOZSA-N
Molecular Weight 415.489 g/mol
SMILES C(C(NC(=O)COC1=CC=C(\C=C\C=2C=CC=CC2)C=C1)C=1C=CC=CC1)C(=O)OC