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N-Benzyl-N-isopropyloxycarbonyl-D-phenylalanine, methyl ester
SpectraBase Compound ID 2ugxUVEgpU5
InChI InChI=1S/C21H25NO4/c1-16(2)26-21(24)22(15-18-12-8-5-9-13-18)19(20(23)25-3)14-17-10-6-4-7-11-17/h4-13,16,19H,14-15H2,1-3H3
InChIKey GEZVEAMNADQZBS-UHFFFAOYSA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LIEFgB814T2
Name N-Benzyl-N-isopropyloxycarbonyl-D-phenylalanine, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 355.178358285 u
Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-16(2)26-21(24)22(15-18-12-8-5-9-13-18)19(20(23)25-3)14-17-10-6-4-7-11-17/h4-13,16,19H,14-15H2,1-3H3
InChIKey GEZVEAMNADQZBS-UHFFFAOYSA-N
Molecular Weight 355.434 g/mol
SMILES C1(=CC=CC=C1)CC(N(CC1=CC=CC=C1)C(OC(C)C)=O)C(=O)OC