| SpectraBase Spectrum ID |
JOfuoZLwvRa |
| Name |
Bicyclo[3.1.0]hexane-6,6-dicarboxylic acid, 2-oxo-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.099773610 u |
| Formula |
C12H16O5 |
| InChI |
InChI=1S/C12H16O5/c1-3-16-10(14)12(11(15)17-4-2)7-5-6-8(13)9(7)12/h7,9H,3-6H2,1-2H3 |
| InChIKey |
DSHJXUTXEFBIHK-UHFFFAOYSA-N |
| Molecular Weight |
240.255 g/mol |
| SMILES |
C1(C2C(=O)CCC12)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934895 |
![Bicyclo[3.1.0]hexane-6,6-dicarboxylic acid, 2-oxo-, diethyl ester](/api/spectrum/JOfuoZLwvRa/structure.png?h=300&w=458 "Bicyclo[3.1.0]hexane-6,6-dicarboxylic acid, 2-oxo-, diethyl ester")
