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Terephthalic acid, ethyl 4-trifluoromethoxybenzyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Terephthalic acid, ethyl 4-trifluoromethoxybenzyl ester
SpectraBase Compound ID 8s1cjjzPxsQ
InChI InChI=1S/C18H15F3O5/c1-2-24-16(22)13-5-7-14(8-6-13)17(23)25-11-12-3-9-15(10-4-12)26-18(19,20)21/h3-10H,2,11H2,1H3
InChIKey RZPYWUZNBONJMY-UHFFFAOYSA-N
Mol Weight 368.31 g/mol
Molecular Formula C18H15F3O5
Exact Mass 368.087158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CfT5cPnKSJa
Name Terephthalic acid, ethyl 4-trifluoromethoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.087158067 u
Formula C18H15F3O5
InChI InChI=1S/C18H15F3O5/c1-2-24-16(22)13-5-7-14(8-6-13)17(23)25-11-12-3-9-15(10-4-12)26-18(19,20)21/h3-10H,2,11H2,1H3
InChIKey RZPYWUZNBONJMY-UHFFFAOYSA-N
Molecular Weight 368.308 g/mol
SMILES C1(=CC=C(C=C1)C(OCC)=O)C(=O)OCC1=CC=C(C=C1)OC(F)(F)F