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Sebacic acid, 2,5-difluorobenzyl heptyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,5-difluorobenzyl heptyl ester
SpectraBase Compound ID Hx3sULUMvFT
InChI InChI=1S/C24H36F2O4/c1-2-3-4-9-12-17-29-23(27)13-10-7-5-6-8-11-14-24(28)30-19-20-18-21(25)15-16-22(20)26/h15-16,18H,2-14,17,19H2,1H3
InChIKey SWMDNXGPBIUTOU-UHFFFAOYSA-N
Mol Weight 426.5 g/mol
Molecular Formula C24H36F2O4
Exact Mass 426.258166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FcGjqiwY9TR
Name Sebacic acid, 2,5-difluorobenzyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.258165961 u
Formula C24H36F2O4
InChI InChI=1S/C24H36F2O4/c1-2-3-4-9-12-17-29-23(27)13-10-7-5-6-8-11-14-24(28)30-19-20-18-21(25)15-16-22(20)26/h15-16,18H,2-14,17,19H2,1H3
InChIKey SWMDNXGPBIUTOU-UHFFFAOYSA-N
Molecular Weight 426.545 g/mol
SMILES C(CCCCCCC(OCCCCCCC)=O)CC(OCC=1C(F)=CC=C(F)C1)=O