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L-Alanine, N-benzyloxycarbonyl-, octyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-benzyloxycarbonyl-, octyl ester
SpectraBase Compound ID F7fMxj9l9XB
InChI InChI=1S/C19H29NO4/c1-3-4-5-6-7-11-14-23-18(21)16(2)20-19(22)24-15-17-12-9-8-10-13-17/h8-10,12-13,16H,3-7,11,14-15H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKey FMQNLTOKTUQVOE-INIZCTEOSA-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 5Zoph46ZZBU
Name L-Alanine, N-benzyloxycarbonyl-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 335.209658414 u
Formula C19H29NO4
InChI InChI=1S/C19H29NO4/c1-3-4-5-6-7-11-14-23-18(21)16(2)20-19(22)24-15-17-12-9-8-10-13-17/h8-10,12-13,16H,3-7,11,14-15H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKey FMQNLTOKTUQVOE-INIZCTEOSA-N
Molecular Weight 335.444 g/mol
SMILES CCCCCCCCOC([C@@](NC(OCC1=CC=CC=C1)=O)(C)[H])=O