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L-Phenylalanine, N-butoxycarbonyl-, pentyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

L-Phenylalanine, N-butoxycarbonyl-, pentyl ester
SpectraBase Compound ID Ck0PeYciXKg
InChI InChI=1S/C19H29NO4/c1-3-5-10-14-23-18(21)17(15-16-11-8-7-9-12-16)20-19(22)24-13-6-4-2/h7-9,11-12,17H,3-6,10,13-15H2,1-2H3,(H,20,22)
InChIKey GOYUTRXKXHCVLK-UHFFFAOYSA-N
Mol Weight 335.44 g/mol
Molecular Formula C19H29NO4
Exact Mass 335.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LnDYfn8erhN
Name L-Phenylalanine, N-butoxycarbonyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 335.209658414 u
Formula C19H29NO4
InChI InChI=1S/C19H29NO4/c1-3-5-10-14-23-18(21)17(15-16-11-8-7-9-12-16)20-19(22)24-13-6-4-2/h7-9,11-12,17H,3-6,10,13-15H2,1-2H3,(H,20,22)
InChIKey GOYUTRXKXHCVLK-UHFFFAOYSA-N
Molecular Weight 335.444 g/mol
SMILES CCCCOC(NC(C(OCCCCC)=O)CC1=CC=CC=C1)=O