| SpectraBase Spectrum ID |
8mLnyCP53xp |
| Name |
4,8,12-Trimethyl-1,5,9-trioxacyclodecane-2.6-dione |
| 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/c1-8-4-5-15-9(2)6-11(13)17-10(3)7-12(14)16-8/h8-10H,4-7H2,1-3H3 |
| InChIKey |
HJBCWHNRWKJVNO-UHFFFAOYSA-N |
| Molecular Weight |
244.287 g/mol |
| SMILES |
C1(OC(CC(OC(CCOC(C1)C)C)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977188 |
