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L-Valine, N-(2-methoxybenzoyl)-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(2-methoxybenzoyl)-, pentadecyl ester
SpectraBase Compound ID BvdjYn5w9SB
InChI InChI=1S/C28H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22-33-28(31)26(23(2)3)29-27(30)24-20-17-18-21-25(24)32-4/h17-18,20-21,23,26H,5-16,19,22H2,1-4H3,(H,29,30)
InChIKey JHDIHFWSAICUHV-UHFFFAOYSA-N
Mol Weight 461.7 g/mol
Molecular Formula C28H47NO4
Exact Mass 461.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AYGJpv6B2A4
Name L-Valine, N-(2-methoxybenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.350508993 u
Formula C28H47NO4
InChI InChI=1S/C28H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22-33-28(31)26(23(2)3)29-27(30)24-20-17-18-21-25(24)32-4/h17-18,20-21,23,26H,5-16,19,22H2,1-4H3,(H,29,30)
InChIKey JHDIHFWSAICUHV-UHFFFAOYSA-N
Molecular Weight 461.687 g/mol
SMILES C1=CC(=C(C=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCC)=O)OC