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l-Alanine, N-(4-butylbenzoyl)-, pentadecyl ester
SpectraBase Compound ID CGh8CrjCOXJ
InChI InChI=1S/C29H49NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-24-33-29(32)25(3)30-28(31)27-22-20-26(21-23-27)19-7-5-2/h20-23,25H,4-19,24H2,1-3H3,(H,30,31)
InChIKey PTPLVYOEOJGLJE-UHFFFAOYSA-N
Mol Weight 459.7 g/mol
Molecular Formula C29H49NO3
Exact Mass 459.371244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DeRqRAt3IKM
Name l-Alanine, N-(4-butylbenzoyl)-, pentadecyl ester
Alternate Name(s) 2-[[(4-butylphenyl)-oxomethyl]amino]propanoic acid pentadecyl ester Pentadecyl 2-[(4-butylbenzoyl)amino]propanoate Pentadecyl 2-[(4-butylphenyl)carbonylamino]propanoate
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Formula C29H49NO3
InChI InChI=1S/C29H49NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-24-33-29(32)25(3)30-28(31)27-22-20-26(21-23-27)19-7-5-2/h20-23,25H,4-19,24H2,1-3H3,(H,30,31)
InChIKey PTPLVYOEOJGLJE-UHFFFAOYSA-N
Molecular Weight 459.715 g/mol
SMILES N(C(c1ccc(cc1)CCCC)=O)C(C(OCCCCCCCCCCCCCCC)=O)C
SPLASH splash10-03di-1930000000-e1a666116ad10f3df24a
Source of Spectrum NP-15-3902-0
Wiley ID 1112482