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

View entire compound with spectra: 1 NMR

D-Alanine, N-(2,5-difluorobenzoyl)-, heptadecyl ester
SpectraBase Compound ID 2BhTn29ijLA
InChI InChI=1S/C27H43F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-27(32)22(2)30-26(31)24-21-23(28)18-19-25(24)29/h18-19,21-22H,3-17,20H2,1-2H3,(H,30,31)
InChIKey CQBSOHSBHRFDAY-UHFFFAOYSA-N
Mol Weight 467.6 g/mol
Molecular Formula C27H43F2NO3
Exact Mass 467.321101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ky1uIzcpcHH
Name D-Alanine, N-(2,5-difluorobenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.321100572 u
Formula C27H43F2NO3
InChI InChI=1S/C27H43F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-27(32)22(2)30-26(31)24-21-23(28)18-19-25(24)29/h18-19,21-22H,3-17,20H2,1-2H3,(H,30,31)
InChIKey CQBSOHSBHRFDAY-UHFFFAOYSA-N
Molecular Weight 467.642 g/mol
SMILES CC(NC(=O)C1=C(C=CC(=C1)F)F)C(OCCCCCCCCCCCCCCCCC)=O