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(3E)-3-(2-chlorobenzylidene)tetrahydrofuran-2-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(3E)-3-(2-chlorobenzylidene)tetrahydrofuran-2-one
SpectraBase Compound ID AhuxHGSpApc
InChI InChI=1S/C11H9ClO2/c12-10-4-2-1-3-8(10)7-9-5-6-14-11(9)13/h1-4,7H,5-6H2/b9-7+
InChIKey VABUJXPEOAEPRM-VQHVLOKHSA-N
Mol Weight 208.64 g/mol
Molecular Formula C11H9ClO2
Exact Mass 208.029107 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EgAFVuT5JkJ
Name (3E)-3-(2-Chlorobenzylidene)tetrahydrofuran-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.029107228 u
Formula C11H9ClO2
InChI InChI=1S/C11H9ClO2/c12-10-4-2-1-3-8(10)7-9-5-6-14-11(9)13/h1-4,7H,5-6H2/b9-7+
InChIKey VABUJXPEOAEPRM-VQHVLOKHSA-N
Molecular Weight 208.644 g/mol
SMILES C=1(\C=C\2C(OCC2)=O)C(Cl)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894322