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L-Leucine, N-(2,6-difluorobenzoyl)-, hexyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-(2,6-difluorobenzoyl)-, hexyl ester
SpectraBase Compound ID DozOi5lCJXl
InChI InChI=1S/C19H27F2NO3/c1-4-5-6-7-11-25-19(24)16(12-13(2)3)22-18(23)17-14(20)9-8-10-15(17)21/h8-10,13,16H,4-7,11-12H2,1-3H3,(H,22,23)
InChIKey USRQNQRKIRORQQ-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 LxWQi1V3dtw
Name L-Leucine, N-(2,6-difluorobenzoyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 355.195900056 u
Formula C19H27F2NO3
InChI InChI=1S/C19H27F2NO3/c1-4-5-6-7-11-25-19(24)16(12-13(2)3)22-18(23)17-14(20)9-8-10-15(17)21/h8-10,13,16H,4-7,11-12H2,1-3H3,(H,22,23)
InChIKey USRQNQRKIRORQQ-UHFFFAOYSA-N
Molecular Weight 355.426 g/mol
SMILES C1(=CC=CC(=C1C(NC(C(OCCCCCC)=O)CC(C)C)=O)F)F