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Succinic acid, 2-chloro-6-fluorophenyl phenethyl ester
SpectraBase Compound ID 1rZkmvsPhwt
InChI InChI=1S/C18H16ClFO4/c19-14-7-4-8-15(20)18(14)24-17(22)10-9-16(21)23-12-11-13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKey NNKHYVOTLUDOHV-UHFFFAOYSA-N
Mol Weight 350.77 g/mol
Molecular Formula C18H16ClFO4
Exact Mass 350.072115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IFldoVHNbIW
Name Succinic acid, 2-chloro-6-fluorophenyl phenethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.072114854 u
Formula C18H16ClFO4
InChI InChI=1S/C18H16ClFO4/c19-14-7-4-8-15(20)18(14)24-17(22)10-9-16(21)23-12-11-13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKey NNKHYVOTLUDOHV-UHFFFAOYSA-N
Molecular Weight 350.773 g/mol
SMILES C(CC(OC1=C(C=CC=C1F)Cl)=O)C(OCCC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885099