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4-Fluorobenzoic acid, decyl ester

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4-Fluorobenzoic acid, decyl ester
SpectraBase Compound ID CZdHPDratHM
InChI InChI=1S/C17H25FO2/c1-2-3-4-5-6-7-8-9-14-20-17(19)15-10-12-16(18)13-11-15/h10-13H,2-9,14H2,1H3
InChIKey RHOVUAMCFTYXRZ-UHFFFAOYSA-N
Mol Weight 280.38 g/mol
Molecular Formula C17H25FO2
Exact Mass 280.183858 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J9p7P6gAmGM
Name 4-Fluorobenzoic acid, decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.183858206 u
Formula C17H25FO2
InChI InChI=1S/C17H25FO2/c1-2-3-4-5-6-7-8-9-14-20-17(19)15-10-12-16(18)13-11-15/h10-13H,2-9,14H2,1H3
InChIKey RHOVUAMCFTYXRZ-UHFFFAOYSA-N
Molecular Weight 280.383 g/mol
SMILES CCCCCCCCCCOC(=O)C=1C=CC(F)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827979