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Succinic acid, 3,4-difluorobenzyl ethyl ester

View entire compound with spectra: 1 FTIR

Succinic acid, 3,4-difluorobenzyl ethyl ester
SpectraBase Compound ID FKiJB7bIYBc
InChI InChI=1S/C13H14F2O4/c1-2-18-12(16)5-6-13(17)19-8-9-3-4-10(14)11(15)7-9/h3-4,7H,2,5-6,8H2,1H3
InChIKey NEXYAZBZBOQMQR-UHFFFAOYSA-N
Mol Weight 272.25 g/mol
Molecular Formula C13H14F2O4
Exact Mass 272.086015 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HOAVXJUPKjd
Name Succinic acid, 3,4-difluorobenzyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.086015253 u
Formula C13H14F2O4
InChI InChI=1S/C13H14F2O4/c1-2-18-12(16)5-6-13(17)19-8-9-3-4-10(14)11(15)7-9/h3-4,7H,2,5-6,8H2,1H3
InChIKey NEXYAZBZBOQMQR-UHFFFAOYSA-N
Molecular Weight 272.248 g/mol
SMILES C(CCC(OCC1=CC(=C(C=C1)F)F)=O)(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909232