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L-Alanine, N-(4-ethylbenzoyl)-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(4-ethylbenzoyl)-, heptadecyl ester
SpectraBase Compound ID GEdv5CWgRm8
InChI InChI=1S/C29H49NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-29(32)25(3)30-28(31)27-22-20-26(5-2)21-23-27/h20-23,25H,4-19,24H2,1-3H3,(H,30,31)
InChIKey CKQGDHGKTPPQOL-UHFFFAOYSA-N
Mol Weight 459.7 g/mol
Molecular Formula C29H49NO3
Exact Mass 459.371244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qGl5TpXpfO
Name L-Alanine, N-(4-ethylbenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 459.371244439 u
Formula C29H49NO3
InChI InChI=1S/C29H49NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-29(32)25(3)30-28(31)27-22-20-26(5-2)21-23-27/h20-23,25H,4-19,24H2,1-3H3,(H,30,31)
InChIKey CKQGDHGKTPPQOL-UHFFFAOYSA-N
Molecular Weight 459.715 g/mol
SMILES C1=CC(=CC=C1CC)C(NC(C(OCCCCCCCCCCCCCCCCC)=O)C)=O