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Isophthalic acid, 2-fluorophenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-fluorophenyl tetradecyl ester
SpectraBase Compound ID 5o2BCys8LeB
InChI InChI=1S/C28H37FO4/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-32-27(30)23-17-16-18-24(22-23)28(31)33-26-20-14-13-19-25(26)29/h13-14,16-20,22H,2-12,15,21H2,1H3
InChIKey DQYDVZQRAQYTON-UHFFFAOYSA-N
Mol Weight 456.6 g/mol
Molecular Formula C28H37FO4
Exact Mass 456.267588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9RQLXzY97xG
Name Isophthalic acid, 2-fluorophenyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.267587830 u
Formula C28H37FO4
InChI InChI=1S/C28H37FO4/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-32-27(30)23-17-16-18-24(22-23)28(31)33-26-20-14-13-19-25(26)29/h13-14,16-20,22H,2-12,15,21H2,1H3
InChIKey DQYDVZQRAQYTON-UHFFFAOYSA-N
Molecular Weight 456.598 g/mol
SMILES C1(=CC(=CC=C1)C(OC1=C(C=CC=C1)F)=O)C(OCCCCCCCCCCCCCC)=O