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L-Alanine, N-(2,6-difluorobenzoyl)-, nonyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(2,6-difluorobenzoyl)-, nonyl ester
SpectraBase Compound ID 1xSpg8fmeK
InChI InChI=1S/C19H27F2NO3/c1-3-4-5-6-7-8-9-13-25-19(24)14(2)22-18(23)17-15(20)11-10-12-16(17)21/h10-12,14H,3-9,13H2,1-2H3,(H,22,23)
InChIKey HOOFIIWFTWTCAL-UHFFFAOYSA-N
Mol Weight 355.43 g/mol
Molecular Formula C19H27F2NO3
Exact Mass 355.1959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FqnJBNONktR
Name L-Alanine, N-(2,6-difluorobenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 355.195900056 u
Formula C19H27F2NO3
InChI InChI=1S/C19H27F2NO3/c1-3-4-5-6-7-8-9-13-25-19(24)14(2)22-18(23)17-15(20)11-10-12-16(17)21/h10-12,14H,3-9,13H2,1-2H3,(H,22,23)
InChIKey HOOFIIWFTWTCAL-UHFFFAOYSA-N
Molecular Weight 355.426 g/mol
SMILES C1(=CC=CC(=C1C(NC(C)C(OCCCCCCCCC)=O)=O)F)F