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Terephthalic acid, di(2-fluorobenzyl) ester

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Terephthalic acid, di(2-fluorobenzyl) ester
SpectraBase Compound ID LPrx83LkbsB
InChI InChI=1S/C22H16F2O4/c23-19-7-3-1-5-17(19)13-27-21(25)15-9-11-16(12-10-15)22(26)28-14-18-6-2-4-8-20(18)24/h1-12H,13-14H2
InChIKey NFIDKIOBLMZBHJ-UHFFFAOYSA-N
Mol Weight 382.36 g/mol
Molecular Formula C22H16F2O4
Exact Mass 382.101665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfvyAkRNYXJ
Name Terephthalic acid, di(2-fluorobenzyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.101665317 u
Formula C22H16F2O4
InChI InChI=1S/C22H16F2O4/c23-19-7-3-1-5-17(19)13-27-21(25)15-9-11-16(12-10-15)22(26)28-14-18-6-2-4-8-20(18)24/h1-12H,13-14H2
InChIKey NFIDKIOBLMZBHJ-UHFFFAOYSA-N
Molecular Weight 382.363 g/mol
SMILES C1=CC(=CC=C1C(OCC1=C(C=CC=C1)F)=O)C(OCC1=C(C=CC=C1)F)=O