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Terephthalic acid, heptyl 3-fluorobenzyl ester

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Terephthalic acid, heptyl 3-fluorobenzyl ester
SpectraBase Compound ID FTJw7IZlfZB
InChI InChI=1S/C22H25FO4/c1-2-3-4-5-6-14-26-21(24)18-10-12-19(13-11-18)22(25)27-16-17-8-7-9-20(23)15-17/h7-13,15H,2-6,14,16H2,1H3
InChIKey UOEHXRSCYZICEC-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 Jhw4GrbDgS4
Name Terephthalic acid, heptyl 3-fluorobenzyl 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/c1-2-3-4-5-6-14-26-21(24)18-10-12-19(13-11-18)22(25)27-16-17-8-7-9-20(23)15-17/h7-13,15H,2-6,14,16H2,1H3
InChIKey UOEHXRSCYZICEC-UHFFFAOYSA-N
Molecular Weight 372.436 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCC)=O)C(=O)OCC1=CC=CC(=C1)F