| SpectraBase Spectrum ID |
4xSBzwIBIXC |
| Name |
1-Methyl-5,6-(isopropylidenedioxy)bicyclo[2.2.2]oct-2-en-7-methanol |
| 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/c1-12(2)15-10-8-4-5-13(3,11(10)16-12)9(6-8)7-14/h4-5,8-11,14H,6-7H2,1-3H3 |
| InChIKey |
QSOHDERIEYETHL-UHFFFAOYSA-N |
| Molecular Weight |
224.300 g/mol |
| SMILES |
C12C3(C=CC(C2OC(O1)(C)C)CC3CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801613 |
![1-Methyl-5,6-(isopropylidenedioxy)bicyclo[2.2.2]oct-2-en-7-methanol](/api/spectrum/4xSBzwIBIXC/structure.png?h=300&w=458 "1-Methyl-5,6-(isopropylidenedioxy)bicyclo[2.2.2]oct-2-en-7-methanol")
