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

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

Acetic acid, 2-(4-fluorophenyl)-, dodecyl ester
SpectraBase Compound ID 3i7Cd5frNC7
InChI InChI=1S/C20H31FO2/c1-2-3-4-5-6-7-8-9-10-11-16-23-20(22)17-18-12-14-19(21)15-13-18/h12-15H,2-11,16-17H2,1H3
InChIKey FYIHNZAENDSKPH-UHFFFAOYSA-N
Mol Weight 322.46 g/mol
Molecular Formula C20H31FO2
Exact Mass 322.230808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7apnqULGhFX
Name Acetic acid, 2-(4-fluorophenyl)-, dodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.230808399 u
Formula C20H31FO2
InChI InChI=1S/C20H31FO2/c1-2-3-4-5-6-7-8-9-10-11-16-23-20(22)17-18-12-14-19(21)15-13-18/h12-15H,2-11,16-17H2,1H3
InChIKey FYIHNZAENDSKPH-UHFFFAOYSA-N
Molecular Weight 322.464 g/mol
SMILES C(OCCCCCCCCCCCC)(=O)CC1=CC=C(C=C1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91202