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Sebacic acid, 2,5-difluorobenzyl propyl ester

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

Sebacic acid, 2,5-difluorobenzyl propyl ester
SpectraBase Compound ID 8zDjbGYSnR6
InChI InChI=1S/C20H28F2O4/c1-2-13-25-19(23)9-7-5-3-4-6-8-10-20(24)26-15-16-14-17(21)11-12-18(16)22/h11-12,14H,2-10,13,15H2,1H3
InChIKey FHDPJVZWHFPFIV-UHFFFAOYSA-N
Mol Weight 370.44 g/mol
Molecular Formula C20H28F2O4
Exact Mass 370.195566 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FDD9O1nAikO
Name Sebacic acid, 2,5-difluorobenzyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.195565704 u
Formula C20H28F2O4
InChI InChI=1S/C20H28F2O4/c1-2-13-25-19(23)9-7-5-3-4-6-8-10-20(24)26-15-16-14-17(21)11-12-18(16)22/h11-12,14H,2-10,13,15H2,1H3
InChIKey FHDPJVZWHFPFIV-UHFFFAOYSA-N
Molecular Weight 370.437 g/mol
SMILES C(CCCCCCC(OCCC)=O)CC(OCC=1C(F)=CC=C(F)C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894464