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L-Norleucine, N-benzyloxycarbonyl-, hexyl ester

View entire compound with spectra: 1 NMR

L-Norleucine, N-benzyloxycarbonyl-, hexyl ester
SpectraBase Compound ID 5XEdGLAA7a9
InChI InChI=1S/C20H31NO4/c1-3-5-7-11-15-24-19(22)18(14-6-4-2)21-20(23)25-16-17-12-9-8-10-13-17/h8-10,12-13,18H,3-7,11,14-16H2,1-2H3,(H,21,23)
InChIKey YLJSNDXPHONQJA-UHFFFAOYSA-N
Mol Weight 349.47 g/mol
Molecular Formula C20H31NO4
Exact Mass 349.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bn4QOMwXEPr
Name L-Norleucine, N-benzyloxycarbonyl-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 349.225308478 u
Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-3-5-7-11-15-24-19(22)18(14-6-4-2)21-20(23)25-16-17-12-9-8-10-13-17/h8-10,12-13,18H,3-7,11,14-16H2,1-2H3,(H,21,23)
InChIKey YLJSNDXPHONQJA-UHFFFAOYSA-N
Molecular Weight 349.471 g/mol
SMILES CCCCCCOC(C(NC(OCC=1C=CC=CC1)=O)CCCC)=O