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L-Alanine, N-(2,6-difluorobenzoyl)-, tetradecyl ester
SpectraBase Compound ID Kw06VX4lO7u
InChI InChI=1S/C24H37F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-30-24(29)19(2)27-23(28)22-20(25)16-15-17-21(22)26/h15-17,19H,3-14,18H2,1-2H3,(H,27,28)
InChIKey HFHZMVPBFVPPRJ-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 Lmvlv4uyFHJ
Name L-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/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-30-24(29)19(2)27-23(28)22-20(25)16-15-17-21(22)26/h15-17,19H,3-14,18H2,1-2H3,(H,27,28)
InChIKey HFHZMVPBFVPPRJ-UHFFFAOYSA-N
Molecular Weight 425.561 g/mol
SMILES C1(=CC=CC(=C1C(NC(C)C(OCCCCCCCCCCCCCC)=O)=O)F)F