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

View entire compound with spectra: 1 NMR

Glycine, N-(2-trifluoromethylbenzoyl)-, octyl ester
SpectraBase Compound ID IjUOFz86WZj
InChI InChI=1S/C18H24F3NO3/c1-2-3-4-5-6-9-12-25-16(23)13-22-17(24)14-10-7-8-11-15(14)18(19,20)21/h7-8,10-11H,2-6,9,12-13H2,1H3,(H,22,24)
InChIKey QNIFUPYYSCGSTA-UHFFFAOYSA-N
Mol Weight 359.39 g/mol
Molecular Formula C18H24F3NO3
Exact Mass 359.170828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EnmYrM5ANfk
Name Glycine, N-(2-trifluoromethylbenzoyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 359.170828123 u
Formula C18H24F3NO3
InChI InChI=1S/C18H24F3NO3/c1-2-3-4-5-6-9-12-25-16(23)13-22-17(24)14-10-7-8-11-15(14)18(19,20)21/h7-8,10-11H,2-6,9,12-13H2,1H3,(H,22,24)
InChIKey QNIFUPYYSCGSTA-UHFFFAOYSA-N
Molecular Weight 359.389 g/mol
SMILES C1(=CC=CC=C1C(NCC(OCCCCCCCC)=O)=O)C(F)(F)F