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D-Alanine, N-(3,4-difluorobenzoyl)-, nonyl ester

View entire compound with spectra: 1 NMR

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