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L-Alanine, N-(2-trifluoromethylbenzoyl)-, octyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(2-trifluoromethylbenzoyl)-, octyl ester
SpectraBase Compound ID GfH29B1TgQO
InChI InChI=1S/C19H26F3NO3/c1-3-4-5-6-7-10-13-26-18(25)14(2)23-17(24)15-11-8-9-12-16(15)19(20,21)22/h8-9,11-12,14H,3-7,10,13H2,1-2H3,(H,23,24)
InChIKey KCKBFUFMIRSEEN-UHFFFAOYSA-N
Mol Weight 373.42 g/mol
Molecular Formula C19H26F3NO3
Exact Mass 373.186478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EzroycrzDwd
Name L-Alanine, N-(2-trifluoromethylbenzoyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 373.186478187 u
Formula C19H26F3NO3
InChI InChI=1S/C19H26F3NO3/c1-3-4-5-6-7-10-13-26-18(25)14(2)23-17(24)15-11-8-9-12-16(15)19(20,21)22/h8-9,11-12,14H,3-7,10,13H2,1-2H3,(H,23,24)
InChIKey KCKBFUFMIRSEEN-UHFFFAOYSA-N
Molecular Weight 373.416 g/mol
SMILES C1(=CC=CC=C1C(NC(C(OCCCCCCCC)=O)C)=O)C(F)(F)F