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Ethyl 5-acetyl-6-methyl-2-oxo-2H-pyran-4-carboxylate

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

Ethyl 5-acetyl-6-methyl-2-oxo-2H-pyran-4-carboxylate
SpectraBase Compound ID DL9MSjoCPH8
InChI InChI=1S/C11H12O5/c1-4-15-11(14)8-5-9(13)16-7(3)10(8)6(2)12/h5H,4H2,1-3H3
InChIKey IYUWBQONMBKLSR-UHFFFAOYSA-N
Mol Weight 224.21 g/mol
Molecular Formula C11H12O5
Exact Mass 224.068473 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8QqWCcHWqet
Name Ethyl 5-acetyl-6-methyl-2-oxo-2H-pyran-4-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.068473481 u
Formula C11H12O5
InChI InChI=1S/C11H12O5/c1-4-15-11(14)8-5-9(13)16-7(3)10(8)6(2)12/h5H,4H2,1-3H3
InChIKey IYUWBQONMBKLSR-UHFFFAOYSA-N
Molecular Weight 224.212 g/mol
SMILES C=1(C(=C(C)OC(C1)=O)C(=O)C)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951965