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Glycine, N-(2-trifluoromethylbenzoyl)-, tetradecyl ester

View entire compound with spectra: 1 NMR

Glycine, N-(2-trifluoromethylbenzoyl)-, tetradecyl ester
SpectraBase Compound ID 748tRV2OENn
InChI InChI=1S/C24H36F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-31-22(29)19-28-23(30)20-16-13-14-17-21(20)24(25,26)27/h13-14,16-17H,2-12,15,18-19H2,1H3,(H,28,30)
InChIKey XHUJTADVVIUBPB-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 DCfOzubixXW
Name Glycine, N-(2-trifluoromethylbenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 443.264728509 u
Formula C24H36F3NO3
InChI InChI=1S/C24H36F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-31-22(29)19-28-23(30)20-16-13-14-17-21(20)24(25,26)27/h13-14,16-17H,2-12,15,18-19H2,1H3,(H,28,30)
InChIKey XHUJTADVVIUBPB-UHFFFAOYSA-N
Molecular Weight 443.551 g/mol
SMILES C1(=C(C=CC=C1)C(F)(F)F)C(NCC(OCCCCCCCCCCCCCC)=O)=O