| SpectraBase Spectrum ID |
EIgfjWMfkuo |
| Name |
5,8,8-Trimethyl-6-(2-oxidanylidenepropyl)-7-oxabicyclo[3.2.1]octan-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.141244501 u |
| Formula |
C13H20O3 |
| InChI |
InChI=1S/C13H20O3/c1-8(14)7-11-13(4)9(15)5-6-10(16-11)12(13,2)3/h10-11H,5-7H2,1-4H3 |
| InChIKey |
VAHXVYIBHPJFJX-UHFFFAOYSA-N |
| Molecular Weight |
224.300 g/mol |
| SMILES |
C12(C(OC(C2(C)C)CCC1=O)CC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943895 |
![5,8,8-Trimethyl-6-(2-oxidanylidenepropyl)-7-oxabicyclo[3.2.1]octan-4-one](/api/spectrum/EIgfjWMfkuo/structure.png?h=300&w=458 "5,8,8-Trimethyl-6-(2-oxidanylidenepropyl)-7-oxabicyclo[3.2.1]octan-4-one")
