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Terephthalic acid, propyl 4-trifluoromethoxybenzyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, propyl 4-trifluoromethoxybenzyl ester
SpectraBase Compound ID Fsuok3gBh10
InChI InChI=1S/C19H17F3O5/c1-2-11-25-17(23)14-5-7-15(8-6-14)18(24)26-12-13-3-9-16(10-4-13)27-19(20,21)22/h3-10H,2,11-12H2,1H3
InChIKey PEHYQLWVHLLNOZ-UHFFFAOYSA-N
Mol Weight 382.34 g/mol
Molecular Formula C19H17F3O5
Exact Mass 382.102808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ABKBH9KSYJc
Name Terephthalic acid, propyl 4-trifluoromethoxybenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.102808131 u
Formula C19H17F3O5
InChI InChI=1S/C19H17F3O5/c1-2-11-25-17(23)14-5-7-15(8-6-14)18(24)26-12-13-3-9-16(10-4-13)27-19(20,21)22/h3-10H,2,11-12H2,1H3
InChIKey PEHYQLWVHLLNOZ-UHFFFAOYSA-N
Molecular Weight 382.335 g/mol
SMILES C1(=CC=C(C=C1)C(OCCC)=O)C(=O)OCC1=CC=C(C=C1)OC(F)(F)F