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L-Alanine, N-benzyloxycarbonyl-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-benzyloxycarbonyl-, pentadecyl ester
SpectraBase Compound ID ASIRDpvDrVa
InChI InChI=1S/C26H43NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-30-25(28)23(2)27-26(29)31-22-24-19-16-15-17-20-24/h15-17,19-20,23H,3-14,18,21-22H2,1-2H3,(H,27,29)/t23-/m0/s1
InChIKey PEFFVVWQXMNDFF-QHCPKHFHSA-N
Mol Weight 433.6 g/mol
Molecular Formula C26H43NO4
Exact Mass 433.319209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AITGH3dMCDM
Name L-Alanine, N-benzyloxycarbonyl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 433.319208865 u
Formula C26H43NO4
InChI InChI=1S/C26H43NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-30-25(28)23(2)27-26(29)31-22-24-19-16-15-17-20-24/h15-17,19-20,23H,3-14,18,21-22H2,1-2H3,(H,27,29)/t23-/m0/s1
InChIKey PEFFVVWQXMNDFF-QHCPKHFHSA-N
Molecular Weight 433.633 g/mol
SMILES C(OCC1=CC=CC=C1)(N[C@](C(OCCCCCCCCCCCCCCC)=O)(C)[H])=O