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L-Alanine, N-(4-trifluoromethylbenzoyl)-, tridecyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(4-trifluoromethylbenzoyl)-, tridecyl ester
SpectraBase Compound ID 1iFAxIvkT8V
InChI InChI=1S/C24H36F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-18-31-23(30)19(2)28-22(29)20-14-16-21(17-15-20)24(25,26)27/h14-17,19H,3-13,18H2,1-2H3,(H,28,29)
InChIKey OPMBXMNORIKADH-UHFFFAOYSA-N
Mol Weight 443.6 g/mol
Molecular Formula C24H36F3NO3
Exact Mass 443.264729 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EmhUjwkhIsg
Name L-Alanine, N-(4-trifluoromethylbenzoyl)-, tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 443.264728509 u
Formula C24H36F3NO3
InChI InChI=1S/C24H36F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-18-31-23(30)19(2)28-22(29)20-14-16-21(17-15-20)24(25,26)27/h14-17,19H,3-13,18H2,1-2H3,(H,28,29)
InChIKey OPMBXMNORIKADH-UHFFFAOYSA-N
Molecular Weight 443.551 g/mol
SMILES C1=CC(=CC=C1C(NC(C(OCCCCCCCCCCCCC)=O)C)=O)C(F)(F)F