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

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Acetic acid, 2-(4-fluorophenyl)-, propyl ester
SpectraBase Compound ID HPlmxqEYPiO
InChI InChI=1S/C11H13FO2/c1-2-7-14-11(13)8-9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3
InChIKey YQTGDJSOWPSQEQ-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 L406KJ2AdJL
Name Acetic acid, 2-(4-fluorophenyl)-, propyl 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/c1-2-7-14-11(13)8-9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3
InChIKey YQTGDJSOWPSQEQ-UHFFFAOYSA-N
Molecular Weight 196.221 g/mol
SMILES C(OCCC)(=O)CC1=CC=C(C=C1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900094