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Valine, N-methyl-N-benzyloxycarbonyl-, hexyl ester

View entire compound with spectra: 1 NMR

Valine, N-methyl-N-benzyloxycarbonyl-, hexyl ester
SpectraBase Compound ID KDpimtdUios
InChI InChI=1S/C20H31NO4/c1-5-6-7-11-14-24-19(22)18(16(2)3)21(4)20(23)25-15-17-12-9-8-10-13-17/h8-10,12-13,16,18H,5-7,11,14-15H2,1-4H3
InChIKey UTELCGXOBJEPIP-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 AJEAiSJHMmA
Name Valine, N-methyl-N-benzyloxycarbonyl-, hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.225308478 u
Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-5-6-7-11-14-24-19(22)18(16(2)3)21(4)20(23)25-15-17-12-9-8-10-13-17/h8-10,12-13,16,18H,5-7,11,14-15H2,1-4H3
InChIKey UTELCGXOBJEPIP-UHFFFAOYSA-N
Molecular Weight 349.471 g/mol
SMILES C1=CC=C(C=C1)COC(N(C(C(OCCCCCC)=O)C(C)C)C)=O