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D-Alanine, N-(3,4-difluorobenzoyl)-, eicosyl ester

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D-Alanine, N-(3,4-difluorobenzoyl)-, eicosyl ester
SpectraBase Compound ID 6cCfiqZJOTw
InChI InChI=1S/C30H49F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-36-30(35)25(2)33-29(34)26-21-22-27(31)28(32)24-26/h21-22,24-25H,3-20,23H2,1-2H3,(H,33,34)
InChIKey FORQBRQKFMWJJF-UHFFFAOYSA-N
Mol Weight 509.7 g/mol
Molecular Formula C30H49F2NO3
Exact Mass 509.368051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jikot8PPrv
Name D-Alanine, N-(3,4-difluorobenzoyl)-, eicosyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 509.368050765 u
Formula C30H49F2NO3
InChI InChI=1S/C30H49F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-36-30(35)25(2)33-29(34)26-21-22-27(31)28(32)24-26/h21-22,24-25H,3-20,23H2,1-2H3,(H,33,34)
InChIKey FORQBRQKFMWJJF-UHFFFAOYSA-N
Molecular Weight 509.723 g/mol
SMILES CC(NC(=O)C1=CC(=C(C=C1)F)F)C(OCCCCCCCCCCCCCCCCCCCC)=O