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L-Norvaline, N-benzyloxycarbonyl-, heptyl ester

View entire compound with spectra: 1 NMR

L-Norvaline, N-benzyloxycarbonyl-, heptyl ester
SpectraBase Compound ID CHHs8E1zXut
InChI InChI=1S/C20H31NO4/c1-3-5-6-7-11-15-24-19(22)18(12-4-2)21-20(23)25-16-17-13-9-8-10-14-17/h8-10,13-14,18H,3-7,11-12,15-16H2,1-2H3,(H,21,23)
InChIKey YUUSPFKBXUFSBM-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 E7HDLppYX2u
Name L-Norvaline, N-benzyloxycarbonyl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 349.225308478 u
Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-3-5-6-7-11-15-24-19(22)18(12-4-2)21-20(23)25-16-17-13-9-8-10-14-17/h8-10,13-14,18H,3-7,11-12,15-16H2,1-2H3,(H,21,23)
InChIKey YUUSPFKBXUFSBM-UHFFFAOYSA-N
Molecular Weight 349.471 g/mol
SMILES C1=CC=CC(=C1)COC(NC(C(OCCCCCCC)=O)CCC)=O