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L-Alanine, N-benzyloxycarbonyl-, hexyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-benzyloxycarbonyl-, hexyl ester
SpectraBase Compound ID GtLKonRBcKo
InChI InChI=1S/C17H25NO4/c1-3-4-5-9-12-21-16(19)14(2)18-17(20)22-13-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKey AVLMZCPSRBVPJI-AWEZNQCLSA-N
Mol Weight 307.39 g/mol
Molecular Formula C17H25NO4
Exact Mass 307.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CYR3uEgmiTD
Name L-Alanine, N-benzyloxycarbonyl-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 307.178358285 u
Formula C17H25NO4
InChI InChI=1S/C17H25NO4/c1-3-4-5-9-12-21-16(19)14(2)18-17(20)22-13-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKey AVLMZCPSRBVPJI-AWEZNQCLSA-N
Molecular Weight 307.390 g/mol
SMILES CCCCCCOC([C@@](NC(OCC1=CC=CC=C1)=O)(C)[H])=O