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Glutaric acid, 2-chloro-6-fluorophenyl 4-cyanophenyl ester

View entire compound with spectra: 1 FTIR

Glutaric acid, 2-chloro-6-fluorophenyl 4-cyanophenyl ester
SpectraBase Compound ID HBvEvEdtDVa
InChI InChI=1S/C18H13ClFNO4/c19-14-3-1-4-15(20)18(14)25-17(23)6-2-5-16(22)24-13-9-7-12(11-21)8-10-13/h1,3-4,7-10H,2,5-6H2
InChIKey IKVNSRPJOGXNDK-UHFFFAOYSA-N
Mol Weight 361.76 g/mol
Molecular Formula C18H13ClFNO4
Exact Mass 361.051714 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KGMQzBLv9TL
Name Glutaric acid, 2-chloro-6-fluorophenyl 4-cyanophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.051713762 u
Formula C18H13ClFNO4
InChI InChI=1S/C18H13ClFNO4/c19-14-3-1-4-15(20)18(14)25-17(23)6-2-5-16(22)24-13-9-7-12(11-21)8-10-13/h1,3-4,7-10H,2,5-6H2
InChIKey IKVNSRPJOGXNDK-UHFFFAOYSA-N
Molecular Weight 361.756 g/mol
SMILES C(CCC(OC1=C(C=CC=C1F)Cl)=O)C(OC1=CC=C(C#N)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948915