| SpectraBase Spectrum ID |
GemnbJfQezB |
| Name |
4,4,6-Trimethyl-3,7,9-trioxabicyclo[4.2.1]nonane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
172.109944372 u |
| Formula |
C9H16O3 |
| InChI |
InChI=1S/C9H16O3/c1-8(2)6-9(3)11-5-7(12-9)4-10-8/h7H,4-6H2,1-3H3/t7-,9+/m0/s1 |
| InChIKey |
XJPHDLMOXMVBTB-IONNQARKSA-N |
| Molecular Weight |
172.224 g/mol |
| SMILES |
[C@]12(CC(C)(C)OC[C@](O2)(CO1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96465 |
![4,4,6-Trimethyl-3,7,9-trioxabicyclo[4.2.1]nonane](/api/spectrum/GemnbJfQezB/structure.png?h=300&w=458 "4,4,6-Trimethyl-3,7,9-trioxabicyclo[4.2.1]nonane")
