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 |