| SpectraBase Spectrum ID |
JrXVW4awOxo |
| Name |
2,11-Dioxabicyclo[4.4.1]undecan-10-one, 1,3,7,7-tetramethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.156894565 u |
| Formula |
C13H22O3 |
| InChI |
InChI=1S/C13H22O3/c1-9-5-6-11-12(2,3)8-7-10(14)13(4,15-9)16-11/h9,11H,5-8H2,1-4H3 |
| InChIKey |
QGCMLFCVSKKZJE-UHFFFAOYSA-N |
| Molecular Weight |
226.316 g/mol |
| SMILES |
C12(OC(C(C)(C)CCC2=O)CCC(O1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98133 |
![2,11-Dioxabicyclo[4.4.1]undecan-10-one, 1,3,7,7-tetramethyl-](/api/spectrum/JrXVW4awOxo/structure.png?h=300&w=458 "2,11-Dioxabicyclo[4.4.1]undecan-10-one, 1,3,7,7-tetramethyl-")
