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dl-Phenylalanine, N-(1H-indol-3-ylacetyl)-, N'-methyl, methyl ester
SpectraBase Compound ID 2qTZAMyXdJU
InChI InChI=1S/C21H22N2O3/c1-23-14-16(17-10-6-7-11-19(17)23)13-20(24)22-18(21(25)26-2)12-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,22,24)
InChIKey IUIPPEJXWYTXSY-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4RqdeZFVMfE
Name dl-Phenylalanine, N-(1H-indol-3-ylacetyl)-, N'-methyl, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 350.163042573 u
Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c1-23-14-16(17-10-6-7-11-19(17)23)13-20(24)22-18(21(25)26-2)12-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,22,24)
InChIKey IUIPPEJXWYTXSY-UHFFFAOYSA-N
Molecular Weight 350.418 g/mol
SMILES C(C(NC(CC=1C2=C(N(C)C1)C=CC=C2)=O)CC1=CC=CC=C1)(=O)OC