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

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-(2,6-difluorobenzoyl)-, undecyl ester
SpectraBase Compound ID 15p5z9W9BJV
InChI InChI=1S/C21H31F2NO3/c1-2-3-4-5-6-7-8-9-10-16-27-19(25)14-15-24-21(26)20-17(22)12-11-13-18(20)23/h11-13H,2-10,14-16H2,1H3,(H,24,26)
InChIKey ULDHCRXNENUWRS-UHFFFAOYSA-N
Mol Weight 383.48 g/mol
Molecular Formula C21H31F2NO3
Exact Mass 383.2272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A38IDC9XJia
Name .beta.-Alanine, N-(2,6-difluorobenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.227200185 u
Formula C21H31F2NO3
InChI InChI=1S/C21H31F2NO3/c1-2-3-4-5-6-7-8-9-10-16-27-19(25)14-15-24-21(26)20-17(22)12-11-13-18(20)23/h11-13H,2-10,14-16H2,1H3,(H,24,26)
InChIKey ULDHCRXNENUWRS-UHFFFAOYSA-N
Molecular Weight 383.480 g/mol
SMILES C1=CC=C(C(=C1F)C(NCCC(OCCCCCCCCCCC)=O)=O)F