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

View entire compound with spectra: 1 NMR

Glycine, N-(2-trifluoromethylbenzoyl)-, undecyl ester
SpectraBase Compound ID 8gksC2tlAZN
InChI InChI=1S/C21H30F3NO3/c1-2-3-4-5-6-7-8-9-12-15-28-19(26)16-25-20(27)17-13-10-11-14-18(17)21(22,23)24/h10-11,13-14H,2-9,12,15-16H2,1H3,(H,25,27)
InChIKey YVDHGDLTWXOYGZ-UHFFFAOYSA-N
Mol Weight 401.47 g/mol
Molecular Formula C21H30F3NO3
Exact Mass 401.217778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KuZQ0AZK4vC
Name Glycine, N-(2-trifluoromethylbenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 401.217778316 u
Formula C21H30F3NO3
InChI InChI=1S/C21H30F3NO3/c1-2-3-4-5-6-7-8-9-12-15-28-19(26)16-25-20(27)17-13-10-11-14-18(17)21(22,23)24/h10-11,13-14H,2-9,12,15-16H2,1H3,(H,25,27)
InChIKey YVDHGDLTWXOYGZ-UHFFFAOYSA-N
Molecular Weight 401.470 g/mol
SMILES C1(=CC=CC=C1C(NCC(OCCCCCCCCCCC)=O)=O)C(F)(F)F