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3-(4-Fluorophenyl)butanoic acid, methyl ester

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3-(4-Fluorophenyl)butanoic acid, methyl ester
SpectraBase Compound ID 1JpynO6qGKW
InChI InChI=1S/C11H13FO2/c1-8(7-11(13)14-2)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey BHMORYYPEXXZFS-UHFFFAOYSA-N
Mol Weight 196.22 g/mol
Molecular Formula C11H13FO2
Exact Mass 196.089958 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IcDQgUkGIf5
Name 3-(4-Fluorophenyl)butanoic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.089957820 u
Formula C11H13FO2
InChI InChI=1S/C11H13FO2/c1-8(7-11(13)14-2)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey BHMORYYPEXXZFS-UHFFFAOYSA-N
Molecular Weight 196.221 g/mol
SMILES C1(F)=CC=C(C=C1)C(CC(=O)OC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88524