| SpectraBase Spectrum ID |
FTlGbilPapg |
| Name |
Glutaric acid, di(3-oxobut-2-yl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.125988358 u |
| Formula |
C13H20O6 |
| InChI |
InChI=1S/C13H20O6/c1-8(14)10(3)18-12(16)6-5-7-13(17)19-11(4)9(2)15/h10-11H,5-7H2,1-4H3 |
| InChIKey |
PYEAQKUFCRZTFA-UHFFFAOYSA-N |
| Molecular Weight |
272.297 g/mol |
| SMILES |
CC(OC(CCCC(OC(C(C)=O)C)=O)=O)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88914 |
