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2-Ethyl-4-(2-ethyl-5-keto-2H-furan-4-yl)-2H-furan-5-one

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

2-Ethyl-4-(2-ethyl-5-keto-2H-furan-4-yl)-2H-furan-5-one
SpectraBase Compound ID GhZulNu7ETO
InChI InChI=1S/C12H14O4/c1-3-7-5-9(11(13)15-7)10-6-8(4-2)16-12(10)14/h5-8H,3-4H2,1-2H3
InChIKey ILCJVBQWYKVPFW-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Btfk1iomZkI
Name 2-Ethyl-4-(2-ethyl-5-keto-2H-furan-4-yl)-2H-furan-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.089208927 u
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-3-7-5-9(11(13)15-7)10-6-8(4-2)16-12(10)14/h5-8H,3-4H2,1-2H3
InChIKey ILCJVBQWYKVPFW-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES C=1(C=2C(OC(C2)CC)=O)C(OC(C1)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979886