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Phthalic acid, heptyl 4-trifluoromethoxybenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 4-trifluoromethoxybenzyl ester
SpectraBase Compound ID AEaVqK2WGHB
InChI InChI=1S/C23H25F3O5/c1-2-3-4-5-8-15-29-21(27)19-9-6-7-10-20(19)22(28)30-16-17-11-13-18(14-12-17)31-23(24,25)26/h6-7,9-14H,2-5,8,15-16H2,1H3
InChIKey SMTAMVWQWSETEC-UHFFFAOYSA-N
Mol Weight 438.44 g/mol
Molecular Formula C23H25F3O5
Exact Mass 438.165408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CbaNSuMZwx0
Name Phthalic acid, heptyl 4-trifluoromethoxybenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.165408389 u
Formula C23H25F3O5
InChI InChI=1S/C23H25F3O5/c1-2-3-4-5-8-15-29-21(27)19-9-6-7-10-20(19)22(28)30-16-17-11-13-18(14-12-17)31-23(24,25)26/h6-7,9-14H,2-5,8,15-16H2,1H3
InChIKey SMTAMVWQWSETEC-UHFFFAOYSA-N
Molecular Weight 438.443 g/mol
SMILES C(OC(C1=CC=CC=C1C(OCCCCCCC)=O)=O)C1=CC=C(C=C1)OC(F)(F)F