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D-Alanine, N-(2,6-difluorobenzoyl)-, eicosyl ester

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D-Alanine, N-(2,6-difluorobenzoyl)-, eicosyl ester
SpectraBase Compound ID 22POXglxQAy
InChI InChI=1S/C30H49F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36-30(35)25(2)33-29(34)28-26(31)22-21-23-27(28)32/h21-23,25H,3-20,24H2,1-2H3,(H,33,34)
InChIKey YTRAXSQHKOKRPD-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 GeneHRck0Bl
Name D-Alanine, N-(2,6-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/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36-30(35)25(2)33-29(34)28-26(31)22-21-23-27(28)32/h21-23,25H,3-20,24H2,1-2H3,(H,33,34)
InChIKey YTRAXSQHKOKRPD-UHFFFAOYSA-N
Molecular Weight 509.723 g/mol
SMILES C(NC(=O)C1=C(C=CC=C1F)F)(C(OCCCCCCCCCCCCCCCCCCCC)=O)C