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L-Alanine, N-(4-butylbenzoyl)-, tetradecyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(4-butylbenzoyl)-, tetradecyl ester
SpectraBase Compound ID LZLjeRLdPl7
InChI InChI=1S/C28H47NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-23-32-28(31)24(3)29-27(30)26-21-19-25(20-22-26)18-7-5-2/h19-22,24H,4-18,23H2,1-3H3,(H,29,30)
InChIKey YQHWOVHDMXEGLQ-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 LXHFZ7W6iAL
Name L-Alanine, N-(4-butylbenzoyl)-, tetradecyl 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/c1-4-6-8-9-10-11-12-13-14-15-16-17-23-32-28(31)24(3)29-27(30)26-21-19-25(20-22-26)18-7-5-2/h19-22,24H,4-18,23H2,1-3H3,(H,29,30)
InChIKey YQHWOVHDMXEGLQ-UHFFFAOYSA-N
Molecular Weight 445.688 g/mol
SMILES C1=CC(=CC=C1C(NC(C(OCCCCCCCCCCCCCC)=O)C)=O)CCCC