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Glutaric acid, 2,5-difluorobenzyl eicosyl ester

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Glutaric acid, 2,5-difluorobenzyl eicosyl ester
SpectraBase Compound ID Fb37Goj9DF1
InChI InChI=1S/C32H52F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-37-31(35)21-20-22-32(36)38-27-28-26-29(33)23-24-30(28)34/h23-24,26H,2-22,25,27H2,1H3
InChIKey RDDAJRSVWVIRPW-UHFFFAOYSA-N
Mol Weight 538.8 g/mol
Molecular Formula C32H52F2O4
Exact Mass 538.383366 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ql394hesyo
Name Glutaric acid, 2,5-difluorobenzyl eicosyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 538.383366476 u
Formula C32H52F2O4
InChI InChI=1S/C32H52F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-37-31(35)21-20-22-32(36)38-27-28-26-29(33)23-24-30(28)34/h23-24,26H,2-22,25,27H2,1H3
InChIKey RDDAJRSVWVIRPW-UHFFFAOYSA-N
Molecular Weight 538.761 g/mol
SMILES C(OCC1=C(C=CC(=C1)F)F)(=O)CCCC(OCCCCCCCCCCCCCCCCCCCC)=O