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Succinic acid, butyl 4-fluorophenethyl ester

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

Succinic acid, butyl 4-fluorophenethyl ester
SpectraBase Compound ID sDfJwFe5kz
InChI InChI=1S/C16H21FO4/c1-2-3-11-20-15(18)8-9-16(19)21-12-10-13-4-6-14(17)7-5-13/h4-7H,2-3,8-12H2,1H3
InChIKey RLIBYCLPCGNHAG-UHFFFAOYSA-N
Mol Weight 296.34 g/mol
Molecular Formula C16H21FO4
Exact Mass 296.142387 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DIG3EJoaPFN
Name Succinic acid, butyl 4-fluorophenethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.142387315 u
Formula C16H21FO4
InChI InChI=1S/C16H21FO4/c1-2-3-11-20-15(18)8-9-16(19)21-12-10-13-4-6-14(17)7-5-13/h4-7H,2-3,8-12H2,1H3
InChIKey RLIBYCLPCGNHAG-UHFFFAOYSA-N
Molecular Weight 296.338 g/mol
SMILES C(CCC(OCCC1=CC=C(C=C1)F)=O)(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.801909