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Glutaric acid, 2-chloro-6-fluorophenyl 4-biphenyl ester
SpectraBase Compound ID GnNFIaGoqkg
InChI InChI=1S/C23H18ClFO4/c24-19-8-4-9-20(25)23(19)29-22(27)11-5-10-21(26)28-18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-4,6-9,12-15H,5,10-11H2
InChIKey GFNVBNFYJWTFFI-UHFFFAOYSA-N
Mol Weight 412.84 g/mol
Molecular Formula C23H18ClFO4
Exact Mass 412.087765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9mPEAsSIJxZ
Name Glutaric acid, 2-chloro-6-fluorophenyl 4-biphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.087764919 u
Formula C23H18ClFO4
InChI InChI=1S/C23H18ClFO4/c24-19-8-4-9-20(25)23(19)29-22(27)11-5-10-21(26)28-18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-4,6-9,12-15H,5,10-11H2
InChIKey GFNVBNFYJWTFFI-UHFFFAOYSA-N
Molecular Weight 412.844 g/mol
SMILES C1=CC=C(C=C1)C1=CC=C(OC(=O)CCCC(OC2=C(C=CC=C2F)Cl)=O)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897999