| SpectraBase Spectrum ID |
JCwVSfyykzW |
| Name |
3-oxo-1,8-Octanedicarboxylic acid, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.131073739 u |
| Formula |
C12H20O5 |
| InChI |
InChI=1S/C12H20O5/c1-16-11(14)7-5-3-4-6-10(13)8-9-12(15)17-2/h3-9H2,1-2H3 |
| InChIKey |
PZCRUHQBEIJNAT-UHFFFAOYSA-N |
| Molecular Weight |
244.287 g/mol |
| SMILES |
C(OC)(CCC(CCCCCC(OC)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.992126 |
