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3-Chloro-2-fluorobenzoic acid, undecyl ester

View entire compound with spectra: 1 FTIR

3-Chloro-2-fluorobenzoic acid, undecyl ester
SpectraBase Compound ID K7t8KQGy56P
InChI InChI=1S/C18H26ClFO2/c1-2-3-4-5-6-7-8-9-10-14-22-18(21)15-12-11-13-16(19)17(15)20/h11-13H,2-10,14H2,1H3
InChIKey NVFSTLBFRMMBBJ-UHFFFAOYSA-N
Mol Weight 328.86 g/mol
Molecular Formula C18H26ClFO2
Exact Mass 328.160536 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Gs0Yp7B6SwG
Name 3-Chloro-2-fluorobenzoic acid, undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.160535938 u
Formula C18H26ClFO2
InChI InChI=1S/C18H26ClFO2/c1-2-3-4-5-6-7-8-9-10-14-22-18(21)15-12-11-13-16(19)17(15)20/h11-13H,2-10,14H2,1H3
InChIKey NVFSTLBFRMMBBJ-UHFFFAOYSA-N
Molecular Weight 328.855 g/mol
SMILES C(CCCCCCCCCOC(C1=CC=CC(=C1F)Cl)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.817186