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Glycine, N-(2,6-difluorobenzoyl)-, tetradecyl ester

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Glycine, N-(2,6-difluorobenzoyl)-, tetradecyl ester
SpectraBase Compound ID 9rW2jo6kQrK
InChI InChI=1S/C23H35F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-29-21(27)18-26-23(28)22-19(24)15-14-16-20(22)25/h14-16H,2-13,17-18H2,1H3,(H,26,28)
InChIKey HYGDVUWIKOJNEF-UHFFFAOYSA-N
Mol Weight 411.5 g/mol
Molecular Formula C23H35F2NO3
Exact Mass 411.2585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fl3h9LKoRt7
Name Glycine, N-(2,6-difluorobenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 411.258500314 u
Formula C23H35F2NO3
InChI InChI=1S/C23H35F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-29-21(27)18-26-23(28)22-19(24)15-14-16-20(22)25/h14-16H,2-13,17-18H2,1H3,(H,26,28)
InChIKey HYGDVUWIKOJNEF-UHFFFAOYSA-N
Molecular Weight 411.534 g/mol
SMILES C1=CC=C(C(=C1F)C(NCC(OCCCCCCCCCCCCCC)=O)=O)F