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l-Alanine, N-(4-fluorobenzoyl)-, heptadecyl ester
SpectraBase Compound ID Ah8ozIeeMx6
InChI InChI=1S/C27H44FNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-27(31)23(2)29-26(30)24-18-20-25(28)21-19-24/h18-21,23H,3-17,22H2,1-2H3,(H,29,30)
InChIKey KADFSFNSNPPFAI-UHFFFAOYSA-N
Mol Weight 449.7 g/mol
Molecular Formula C27H44FNO3
Exact Mass 449.330522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1H2jzy6Uj1X
Name l-Alanine, N-(4-fluorobenzoyl)-, heptadecyl ester
Alternate Name(s) 2-[[(4-fluorophenyl)-oxomethyl]amino]propanoic acid heptadecyl ester Heptadecyl 2-[(4-fluorobenzoyl)amino]propanoate Heptadecyl 2-[(4-fluorophenyl)carbonylamino]propanoate
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Formula C27H44FNO3
InChI InChI=1S/C27H44FNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-27(31)23(2)29-26(30)24-18-20-25(28)21-19-24/h18-21,23H,3-17,22H2,1-2H3,(H,29,30)
InChIKey KADFSFNSNPPFAI-UHFFFAOYSA-N
Molecular Weight 449.651 g/mol
SMILES N(C(c1ccc(cc1)F)=O)C(C(OCCCCCCCCCCCCCCCCC)=O)C
SPLASH splash10-01b9-2900000000-6619aa30ca4601626581
Source of Spectrum NP-15-2832-0
Wiley ID 1112397