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N-(2',4'-Dimethoxybenzoyl)-phenylalanine - methyl ester

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

N-(2',4'-Dimethoxybenzoyl)-phenylalanine - methyl ester
SpectraBase Compound ID FdWYm0wpUqp
InChI InChI=1S/C19H21NO5/c1-23-14-9-10-15(17(12-14)24-2)18(21)20-16(19(22)25-3)11-13-7-5-4-6-8-13/h4-10,12,16H,11H2,1-3H3,(H,20,21)
InChIKey YJLKDKKPJUUCRO-UHFFFAOYSA-N
Mol Weight 343.38 g/mol
Molecular Formula C19H21NO5
Exact Mass 343.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRxwgWCqrG2
Name N-(2',4'-Dimethoxybenzoyl)-phenylalanine - methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 343.141972775 u
Formula C19H21NO5
InChI InChI=1S/C19H21NO5/c1-23-14-9-10-15(17(12-14)24-2)18(21)20-16(19(22)25-3)11-13-7-5-4-6-8-13/h4-10,12,16H,11H2,1-3H3,(H,20,21)
InChIKey YJLKDKKPJUUCRO-UHFFFAOYSA-N
Molecular Weight 343.379 g/mol
SMILES C=1(C(NC(C(=O)OC)CC=2C=CC=CC2)=O)C(=CC(=CC1)OC)OC