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Ethyl (4'-ethoxy-6'-methyl-2H-pyran-2'-on-3'-yl)butenoate

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

Ethyl (4'-ethoxy-6'-methyl-2H-pyran-2'-on-3'-yl)butenoate
SpectraBase Compound ID 8EVHZIRFIGl
InChI InChI=1S/C14H18O5/c1-4-17-12-9-10(3)19-14(16)11(12)7-6-8-13(15)18-5-2/h6,8-9H,4-5,7H2,1-3H3/b8-6+
InChIKey BNHYDBQLZCURSW-SOFGYWHQSA-N
Mol Weight 266.29 g/mol
Molecular Formula C14H18O5
Exact Mass 266.115424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4sdCmKKmiqJ
Name Ethyl (4'-ethoxy-6'-methyl-2H-pyran-2'-on-3'-yl)butenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.115423675 u
Formula C14H18O5
InChI InChI=1S/C14H18O5/c1-4-17-12-9-10(3)19-14(16)11(12)7-6-8-13(15)18-5-2/h6,8-9H,4-5,7H2,1-3H3/b8-6+
InChIKey BNHYDBQLZCURSW-SOFGYWHQSA-N
Molecular Weight 266.293 g/mol
SMILES C=1(C(OC(=CC1OCC)C)=O)C\C=C\C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948157