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L-Valine, N-butoxycarbonyl-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-butoxycarbonyl-, pentadecyl ester
SpectraBase Compound ID BJkcagVb8tK
InChI InChI=1S/C25H49NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-29-24(27)23(22(3)4)26-25(28)30-20-8-6-2/h22-23H,5-21H2,1-4H3,(H,26,28)
InChIKey PGZQABCIBKXCDP-UHFFFAOYSA-N
Mol Weight 427.7 g/mol
Molecular Formula C25H49NO4
Exact Mass 427.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6N6cmQVttl7
Name L-Valine, N-butoxycarbonyl-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.366159058 u
Formula C25H49NO4
InChI InChI=1S/C25H49NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-29-24(27)23(22(3)4)26-25(28)30-20-8-6-2/h22-23H,5-21H2,1-4H3,(H,26,28)
InChIKey PGZQABCIBKXCDP-UHFFFAOYSA-N
Molecular Weight 427.670 g/mol
SMILES CCCCOC(NC(C(OCCCCCCCCCCCCCCC)=O)C(C)C)=O