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4-Methoxy-6-methyl-5-(4-chlorophenyl)-2H-pyran-2-one

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

4-Methoxy-6-methyl-5-(4-chlorophenyl)-2H-pyran-2-one
SpectraBase Compound ID 9oOl1UwuaXS
InChI InChI=1S/C13H11ClO3/c1-8-13(9-3-5-10(14)6-4-9)11(16-2)7-12(15)17-8/h3-7H,1-2H3
InChIKey HGHDHHDXPCLJIS-UHFFFAOYSA-N
Mol Weight 250.68 g/mol
Molecular Formula C13H11ClO3
Exact Mass 250.039672 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L9JYfNsBNv0
Name 4-Methoxy-6-methyl-5-(4-chlorophenyl)-2H-pyran-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.039671911 u
Formula C13H11ClO3
InChI InChI=1S/C13H11ClO3/c1-8-13(9-3-5-10(14)6-4-9)11(16-2)7-12(15)17-8/h3-7H,1-2H3
InChIKey HGHDHHDXPCLJIS-UHFFFAOYSA-N
Molecular Weight 250.681 g/mol
SMILES C=1(C(=C(C)OC(C1)=O)C1=CC=C(C=C1)Cl)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909285