| SpectraBase Spectrum ID |
KQRbXRJsMbJ |
| Name |
5-Keto-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 |
266.115423675 u |
| Formula |
C14H18O5 |
| InChI |
InChI=1S/C14H18O5/c1-3-18-12(16)14(13(17)19-4-2)7-9-5-11(15)6-10(9)8-14/h5,10H,3-4,6-8H2,1-2H3 |
| InChIKey |
VTGDEEZVFBGXQU-UHFFFAOYSA-N |
| Molecular Weight |
266.293 g/mol |
| SMILES |
C1(CC2=CC(CC2C1)=O)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828781 |
