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Terephthalic acid, 2-fluorobenzyl heptyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 2-fluorobenzyl heptyl ester
SpectraBase Compound ID 4pL4hMVYc2q
InChI InChI=1S/C22H25FO4/c1-2-3-4-5-8-15-26-21(24)17-11-13-18(14-12-17)22(25)27-16-19-9-6-7-10-20(19)23/h6-7,9-14H,2-5,8,15-16H2,1H3
InChIKey MHJSUQQHHAALIR-UHFFFAOYSA-N
Mol Weight 372.44 g/mol
Molecular Formula C22H25FO4
Exact Mass 372.173687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5QkDkqrgRU
Name Terephthalic acid, 2-fluorobenzyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.173687444 u
Formula C22H25FO4
InChI InChI=1S/C22H25FO4/c1-2-3-4-5-8-15-26-21(24)17-11-13-18(14-12-17)22(25)27-16-19-9-6-7-10-20(19)23/h6-7,9-14H,2-5,8,15-16H2,1H3
InChIKey MHJSUQQHHAALIR-UHFFFAOYSA-N
Molecular Weight 372.436 g/mol
SMILES C1=CC(=CC=C1C(OCC1=C(C=CC=C1)F)=O)C(OCCCCCCC)=O