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L-Alanine, N-(4-ethylbenzoyl)-, tetradecyl ester
SpectraBase Compound ID 5VXA19zD31x
InChI InChI=1S/C26H43NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-21-30-26(29)22(3)27-25(28)24-19-17-23(5-2)18-20-24/h17-20,22H,4-16,21H2,1-3H3,(H,27,28)
InChIKey DJTKCUAQAAQHIN-UHFFFAOYSA-N
Mol Weight 417.6 g/mol
Molecular Formula C26H43NO3
Exact Mass 417.324294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 186nIMNOTmM
Name L-Alanine, N-(4-ethylbenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.324294246 u
Formula C26H43NO3
InChI InChI=1S/C26H43NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-21-30-26(29)22(3)27-25(28)24-19-17-23(5-2)18-20-24/h17-20,22H,4-16,21H2,1-3H3,(H,27,28)
InChIKey DJTKCUAQAAQHIN-UHFFFAOYSA-N
Molecular Weight 417.634 g/mol
SMILES C1=CC(=CC=C1C(NC(C(OCCCCCCCCCCCCCC)=O)C)=O)CC