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Isophthalic acid, 2-fluorophenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-fluorophenyl pentadecyl ester
SpectraBase Compound ID 2sAt0Llulps
InChI InChI=1S/C29H39FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-33-28(31)24-18-17-19-25(23-24)29(32)34-27-21-15-14-20-26(27)30/h14-15,17-21,23H,2-13,16,22H2,1H3
InChIKey UYUGOYUPLINPMO-UHFFFAOYSA-N
Mol Weight 470.6 g/mol
Molecular Formula C29H39FO4
Exact Mass 470.283238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9efiGf1x2v
Name Isophthalic acid, 2-fluorophenyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.283237895 u
Formula C29H39FO4
InChI InChI=1S/C29H39FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-33-28(31)24-18-17-19-25(23-24)29(32)34-27-21-15-14-20-26(27)30/h14-15,17-21,23H,2-13,16,22H2,1H3
InChIKey UYUGOYUPLINPMO-UHFFFAOYSA-N
Molecular Weight 470.625 g/mol
SMILES C1(=CC(=CC=C1)C(OC1=C(C=CC=C1)F)=O)C(OCCCCCCCCCCCCCCC)=O