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Terephthalic acid, heptyl 4-fluorophenethyl ester

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Terephthalic acid, heptyl 4-fluorophenethyl ester
SpectraBase Compound ID VNMmbvw4Fo
InChI InChI=1S/C23H27FO4/c1-2-3-4-5-6-16-27-22(25)19-9-11-20(12-10-19)23(26)28-17-15-18-7-13-21(24)14-8-18/h7-14H,2-6,15-17H2,1H3
InChIKey WWMHQHKLGVGIQK-UHFFFAOYSA-N
Mol Weight 386.46 g/mol
Molecular Formula C23H27FO4
Exact Mass 386.189338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IdD5WhwZ9N8
Name Terephthalic acid, heptyl 4-fluorophenethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.189337508 u
Formula C23H27FO4
InChI InChI=1S/C23H27FO4/c1-2-3-4-5-6-16-27-22(25)19-9-11-20(12-10-19)23(26)28-17-15-18-7-13-21(24)14-8-18/h7-14H,2-6,15-17H2,1H3
InChIKey WWMHQHKLGVGIQK-UHFFFAOYSA-N
Molecular Weight 386.463 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCC)=O)C(=O)OCCC1=CC=C(C=C1)F