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D-Alanine, N-(2,5-difluorobenzoyl)-, decyl ester

View entire compound with spectra: 1 NMR

D-Alanine, N-(2,5-difluorobenzoyl)-, decyl ester
SpectraBase Compound ID I2nzM7HscLX
InChI InChI=1S/C20H29F2NO3/c1-3-4-5-6-7-8-9-10-13-26-20(25)15(2)23-19(24)17-14-16(21)11-12-18(17)22/h11-12,14-15H,3-10,13H2,1-2H3,(H,23,24)
InChIKey MRIWMALZKUAQHA-UHFFFAOYSA-N
Mol Weight 369.45 g/mol
Molecular Formula C20H29F2NO3
Exact Mass 369.21155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FuUgiMoUnLb
Name D-Alanine, N-(2,5-difluorobenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 369.211550121 u
Formula C20H29F2NO3
InChI InChI=1S/C20H29F2NO3/c1-3-4-5-6-7-8-9-10-13-26-20(25)15(2)23-19(24)17-14-16(21)11-12-18(17)22/h11-12,14-15H,3-10,13H2,1-2H3,(H,23,24)
InChIKey MRIWMALZKUAQHA-UHFFFAOYSA-N
Molecular Weight 369.453 g/mol
SMILES CC(NC(=O)C1=C(C=CC(=C1)F)F)C(OCCCCCCCCCC)=O