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Acetic acid, 2-(4-fluorophenyl)-, pentyl ester

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

Acetic acid, 2-(4-fluorophenyl)-, pentyl ester
SpectraBase Compound ID FJNS9zcxamN
InChI InChI=1S/C13H17FO2/c1-2-3-4-9-16-13(15)10-11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3
InChIKey XWBJURLZAQLFBJ-UHFFFAOYSA-N
Mol Weight 224.28 g/mol
Molecular Formula C13H17FO2
Exact Mass 224.121258 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BGKcMP7HfZK
Name Acetic acid, 2-(4-fluorophenyl)-, pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.121257948 u
Formula C13H17FO2
InChI InChI=1S/C13H17FO2/c1-2-3-4-9-16-13(15)10-11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3
InChIKey XWBJURLZAQLFBJ-UHFFFAOYSA-N
Molecular Weight 224.275 g/mol
SMILES C(OCCCCC)(=O)CC1=CC=C(C=C1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.807081