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L-Valine, N-(4-methylbenzoyl)-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(4-methylbenzoyl)-, pentadecyl ester
SpectraBase Compound ID 7JZRB5UbTDS
InChI InChI=1S/C28H47NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-28(31)26(23(2)3)29-27(30)25-20-18-24(4)19-21-25/h18-21,23,26H,5-17,22H2,1-4H3,(H,29,30)
InChIKey KLUPCNQWDQTWPK-UHFFFAOYSA-N
Mol Weight 445.7 g/mol
Molecular Formula C28H47NO3
Exact Mass 445.355594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9cjFkJpl8zC
Name L-Valine, N-(4-methylbenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.355594374 u
Formula C28H47NO3
InChI InChI=1S/C28H47NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-28(31)26(23(2)3)29-27(30)25-20-18-24(4)19-21-25/h18-21,23,26H,5-17,22H2,1-4H3,(H,29,30)
InChIKey KLUPCNQWDQTWPK-UHFFFAOYSA-N
Molecular Weight 445.688 g/mol
SMILES CCCCCCCCCCCCCCCOC(C(C(C)C)NC(=O)C1=CC=C(C=C1)C)=O