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4-Fluorobenzoic acid, dodecyl ester

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

4-Fluorobenzoic acid, dodecyl ester
SpectraBase Compound ID 20vmgTht1DB
InChI InChI=1S/C19H29FO2/c1-2-3-4-5-6-7-8-9-10-11-16-22-19(21)17-12-14-18(20)15-13-17/h12-15H,2-11,16H2,1H3
InChIKey CCRZRYXYWSBEJX-UHFFFAOYSA-N
Mol Weight 308.44 g/mol
Molecular Formula C19H29FO2
Exact Mass 308.215158 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8M4Jy3fSgUH
Name 4-Fluorobenzoic acid, dodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.215158335 u
Formula C19H29FO2
InChI InChI=1S/C19H29FO2/c1-2-3-4-5-6-7-8-9-10-11-16-22-19(21)17-12-14-18(20)15-13-17/h12-15H,2-11,16H2,1H3
InChIKey CCRZRYXYWSBEJX-UHFFFAOYSA-N
Molecular Weight 308.437 g/mol
SMILES CCCCCCCCCCCCOC(=O)C=1C=CC(F)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855992