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Succinic acid, di(4-trifluoromethoxybenzyl) ester

View entire compound with spectra: 1 FTIR

Succinic acid, di(4-trifluoromethoxybenzyl) ester
SpectraBase Compound ID 1ch8G7SrKV3
InChI InChI=1S/C20H16F6O6/c21-19(22,23)31-15-5-1-13(2-6-15)11-29-17(27)9-10-18(28)30-12-14-3-7-16(8-4-14)32-20(24,25)26/h1-8H,9-12H2
InChIKey ORJUIAPHKVLTSL-UHFFFAOYSA-N
Mol Weight 466.33 g/mol
Molecular Formula C20H16F6O6
Exact Mass 466.085107 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GDxFOguznFY
Name Succinic acid, di(4-trifluoromethoxybenzyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.085107207 u
Formula C20H16F6O6
InChI InChI=1S/C20H16F6O6/c21-19(22,23)31-15-5-1-13(2-6-15)11-29-17(27)9-10-18(28)30-12-14-3-7-16(8-4-14)32-20(24,25)26/h1-8H,9-12H2
InChIKey ORJUIAPHKVLTSL-UHFFFAOYSA-N
Molecular Weight 466.332 g/mol
SMILES C(CCC(OCC1=CC=C(OC(F)(F)F)C=C1)=O)(OCC1=CC=C(OC(F)(F)F)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952555