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Terephthalic acid, 3,4-difluorobenzyl nonyl ester
SpectraBase Compound ID 59Ci4c6OJow
InChI InChI=1S/C24H28F2O4/c1-2-3-4-5-6-7-8-15-29-23(27)19-10-12-20(13-11-19)24(28)30-17-18-9-14-21(25)22(26)16-18/h9-14,16H,2-8,15,17H2,1H3
InChIKey LZIADGCCFRIFIJ-UHFFFAOYSA-N
Mol Weight 418.48 g/mol
Molecular Formula C24H28F2O4
Exact Mass 418.195566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Kg8yljElHK
Name Terephthalic acid, 3,4-difluorobenzyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.195565704 u
Formula C24H28F2O4
InChI InChI=1S/C24H28F2O4/c1-2-3-4-5-6-7-8-15-29-23(27)19-10-12-20(13-11-19)24(28)30-17-18-9-14-21(25)22(26)16-18/h9-14,16H,2-8,15,17H2,1H3
InChIKey LZIADGCCFRIFIJ-UHFFFAOYSA-N
Molecular Weight 418.481 g/mol
SMILES C1=CC(=CC=C1C(OCC1=CC=C(C(=C1)F)F)=O)C(OCCCCCCCCC)=O