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.beta.- Alanine, N-(2,6-difluorobenzoyl)-, tetradecyl ester

View entire compound with spectra: 1 NMR

.beta.- Alanine, N-(2,6-difluorobenzoyl)-, tetradecyl ester
SpectraBase Compound ID 7uiqf2plqWf
InChI InChI=1S/C24H37F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-30-22(28)17-18-27-24(29)23-20(25)15-14-16-21(23)26/h14-16H,2-13,17-19H2,1H3,(H,27,29)
InChIKey OOQPBINVCQVNML-UHFFFAOYSA-N
Mol Weight 425.6 g/mol
Molecular Formula C24H37F2NO3
Exact Mass 425.27415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4unHIKzs4B6
Name .beta.- Alanine, N-(2,6-difluorobenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 425.274150378 u
Formula C24H37F2NO3
InChI InChI=1S/C24H37F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-30-22(28)17-18-27-24(29)23-20(25)15-14-16-21(23)26/h14-16H,2-13,17-19H2,1H3,(H,27,29)
InChIKey OOQPBINVCQVNML-UHFFFAOYSA-N
Molecular Weight 425.561 g/mol
SMILES C1=CC=C(C(=C1F)C(NCCC(OCCCCCCCCCCCCCC)=O)=O)F