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l-Alanine, N-(4-ethylbenzoyl)-, pentadecyl ester
SpectraBase Compound ID 521WEtq5KuE
InChI InChI=1S/C27H45NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-22-31-27(30)23(3)28-26(29)25-20-18-24(5-2)19-21-25/h18-21,23H,4-17,22H2,1-3H3,(H,28,29)
InChIKey ZZGOZBLQSXFELC-UHFFFAOYSA-N
Mol Weight 431.7 g/mol
Molecular Formula C27H45NO3
Exact Mass 431.339944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAnhMHv7msU
Name l-Alanine, N-(4-ethylbenzoyl)-, pentadecyl ester
Alternate Name(s) 2-[[(4-ethylphenyl)-oxomethyl]amino]propanoic acid pentadecyl ester Pentadecyl 2-[(4-ethylbenzoyl)amino]propanoate Pentadecyl 2-[(4-ethylphenyl)carbonylamino]propanoate
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Formula C27H45NO3
InChI InChI=1S/C27H45NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-22-31-27(30)23(3)28-26(29)25-20-18-24(5-2)19-21-25/h18-21,23H,4-17,22H2,1-3H3,(H,28,29)
InChIKey ZZGOZBLQSXFELC-UHFFFAOYSA-N
Molecular Weight 431.661 g/mol
SMILES N(C(c1ccc(cc1)CC)=O)C(C(OCCCCCCCCCCCCCCC)=O)C
SPLASH splash10-001i-1900000000-77e2a7f0e8fb19c33306
Source of Spectrum NP-15-493-0
Wiley ID 1112206