| SpectraBase Spectrum ID |
8u6fwgLUXPl |
| Name |
3,6,6-Trimethylundecane-2,5,10-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.172544630 u |
| Formula |
C14H24O3 |
| InChI |
InChI=1S/C14H24O3/c1-10(12(3)16)9-13(17)14(4,5)8-6-7-11(2)15/h10H,6-9H2,1-5H3 |
| InChIKey |
MOTKFTIYHVKXLB-UHFFFAOYSA-N |
| Molecular Weight |
240.343 g/mol |
| SMILES |
C(=O)(C(C)(CCCC(C)=O)C)CC(C)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910159 |
