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L-Phenylalanine, N-ethoxycarbonyl-, decyl ester

View entire compound with spectra: 1 NMR

L-Phenylalanine, N-ethoxycarbonyl-, decyl ester
SpectraBase Compound ID 61wM6nQV4QC
InChI InChI=1S/C22H35NO4/c1-3-5-6-7-8-9-10-14-17-27-21(24)20(23-22(25)26-4-2)18-19-15-12-11-13-16-19/h11-13,15-16,20H,3-10,14,17-18H2,1-2H3,(H,23,25)
InChIKey NGBYSAIYBPZBAH-UHFFFAOYSA-N
Mol Weight 377.5 g/mol
Molecular Formula C22H35NO4
Exact Mass 377.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6MXW7so9fV4
Name L-Phenylalanine, N-ethoxycarbonyl-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 377.256608607 u
Formula C22H35NO4
InChI InChI=1S/C22H35NO4/c1-3-5-6-7-8-9-10-14-17-27-21(24)20(23-22(25)26-4-2)18-19-15-12-11-13-16-19/h11-13,15-16,20H,3-10,14,17-18H2,1-2H3,(H,23,25)
InChIKey NGBYSAIYBPZBAH-UHFFFAOYSA-N
Molecular Weight 377.525 g/mol
SMILES CCOC(NC(C(OCCCCCCCCCC)=O)CC1=CC=CC=C1)=O