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l-Alanine, N-(2-trifluoromethylbenzoyl)-, tridecyl ester
SpectraBase Compound ID HG30rPuqhE4
InChI InChI=1S/C24H36F3NO3/c1-3-4-5-6-7-8-9-10-11-12-15-18-31-23(30)19(2)28-22(29)20-16-13-14-17-21(20)24(25,26)27/h13-14,16-17,19H,3-12,15,18H2,1-2H3,(H,28,29)
InChIKey QRTLZKVQDUADSC-UHFFFAOYSA-N
Mol Weight 443.6 g/mol
Molecular Formula C24H36F3NO3
Exact Mass 443.264729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iwvii3xONt7
Name l-Alanine, N-(2-trifluoromethylbenzoyl)-, tridecyl ester
Alternate Name(s) 2-[[oxo-[2-(trifluoromethyl)phenyl]methyl]amino]propanoic acid tridecyl ester Tridecyl 2-[[2-(trifluoromethyl)benzoyl]amino]propanoate Tridecyl 2-[[2-(trifluoromethyl)phenyl]carbonylamino]propanoate
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Formula C24H36F3NO3
InChI InChI=1S/C24H36F3NO3/c1-3-4-5-6-7-8-9-10-11-12-15-18-31-23(30)19(2)28-22(29)20-16-13-14-17-21(20)24(25,26)27/h13-14,16-17,19H,3-12,15,18H2,1-2H3,(H,28,29)
InChIKey QRTLZKVQDUADSC-UHFFFAOYSA-N
Molecular Weight 443.551 g/mol
SMILES N(C(c1c(cccc1)C(F)(F)F)=O)C(C(OCCCCCCCCCCCCC)=O)C
SPLASH splash10-01b9-2980000000-db53b0cd7a9b64c74f82
Source of Spectrum NP-15-2113-0
Wiley ID 1112335