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

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D-Alanine, N-(2,5-difluorobenzoyl)-, nonadecyl ester
SpectraBase Compound ID HwjtuW6ocJe
InChI InChI=1S/C29H47F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-35-29(34)24(2)32-28(33)26-23-25(30)20-21-27(26)31/h20-21,23-24H,3-19,22H2,1-2H3,(H,32,33)
InChIKey DPPIRLHJNBCLEE-UHFFFAOYSA-N
Mol Weight 495.7 g/mol
Molecular Formula C29H47F2NO3
Exact Mass 495.352401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HWosRYU8zpT
Name D-Alanine, N-(2,5-difluorobenzoyl)-, nonadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 495.352400700 u
Formula C29H47F2NO3
InChI InChI=1S/C29H47F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-35-29(34)24(2)32-28(33)26-23-25(30)20-21-27(26)31/h20-21,23-24H,3-19,22H2,1-2H3,(H,32,33)
InChIKey DPPIRLHJNBCLEE-UHFFFAOYSA-N
Molecular Weight 495.696 g/mol
SMILES CC(NC(=O)C1=C(C=CC(=C1)F)F)C(OCCCCCCCCCCCCCCCCCCC)=O