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5-Keto-6-methyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid diethyl ester
SpectraBase Compound ID UapaH2jkpM
InChI InChI=1S/C15H20O5/c1-4-19-13(17)15(14(18)20-5-2)7-10-6-12(16)9(3)11(10)8-15/h10H,4-8H2,1-3H3
InChIKey KJRHDHISTICOGE-UHFFFAOYSA-N
Mol Weight 280.32 g/mol
Molecular Formula C15H20O5
Exact Mass 280.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CyLZpMzZNB8
Name 5-Keto-6-methyl-1,3,3A,4-tetrahydropentalene-2,2-dicarboxylic acid diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.131073739 u
Formula C15H20O5
InChI InChI=1S/C15H20O5/c1-4-19-13(17)15(14(18)20-5-2)7-10-6-12(16)9(3)11(10)8-15/h10H,4-8H2,1-3H3
InChIKey KJRHDHISTICOGE-UHFFFAOYSA-N
SMILES C12=C(C(CC1CC(C2)(C(=O)OCC)C(=O)OCC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942044