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Glutaric acid, pent-2-en-1-yl 2-chloro-6-fluorophenyl ester

View entire compound with spectra: 1 FTIR

Glutaric acid, pent-2-en-1-yl 2-chloro-6-fluorophenyl ester
SpectraBase Compound ID CZ5fu20UUGJ
InChI InChI=1S/C16H18ClFO4/c1-2-3-4-11-21-14(19)9-6-10-15(20)22-16-12(17)7-5-8-13(16)18/h3-5,7-8H,2,6,9-11H2,1H3/b4-3+
InChIKey ATGPHVMBHHULIY-ONEGZZNKSA-N
Mol Weight 328.77 g/mol
Molecular Formula C16H18ClFO4
Exact Mass 328.087765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4x5vYFD9G31
Name Glutaric acid, pent-2-en-1-yl 2-chloro-6-fluorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.087764919 u
Formula C16H18ClFO4
InChI InChI=1S/C16H18ClFO4/c1-2-3-4-11-21-14(19)9-6-10-15(20)22-16-12(17)7-5-8-13(16)18/h3-5,7-8H,2,6,9-11H2,1H3/b4-3+
InChIKey ATGPHVMBHHULIY-ONEGZZNKSA-N
Molecular Weight 328.767 g/mol
SMILES C(CCC(OC1=C(C=CC=C1F)Cl)=O)C(OC\C=C\CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85437