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D-Alanine, N-(4-butylbenzoyl)-, dodecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

D-Alanine, N-(4-butylbenzoyl)-, dodecyl ester
SpectraBase Compound ID KtKrCfVGzxb
InChI InChI=1S/C26H43NO3/c1-4-6-8-9-10-11-12-13-14-15-21-30-26(29)22(3)27-25(28)24-19-17-23(18-20-24)16-7-5-2/h17-20,22H,4-16,21H2,1-3H3,(H,27,28)
InChIKey KIPISLLURSFBED-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 94KIEBDZO44
Name D-Alanine, N-(4-butylbenzoyl)-, dodecyl 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/c1-4-6-8-9-10-11-12-13-14-15-21-30-26(29)22(3)27-25(28)24-19-17-23(18-20-24)16-7-5-2/h17-20,22H,4-16,21H2,1-3H3,(H,27,28)
InChIKey KIPISLLURSFBED-UHFFFAOYSA-N
Molecular Weight 417.634 g/mol
SMILES C(NC(=O)C1=CC=C(CCCC)C=C1)(C(OCCCCCCCCCCCC)=O)C