SpectraBase Spectrum ID |
BSie5xS9nJL |
Name |
3,3-(Ethylenedioxy)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
212.141244501 u |
Formula |
C12H20O3 |
InChI |
InChI=1S/C12H20O3/c1-10(2)8-4-5-11(10,3)12(9(8)13)14-6-7-15-12/h8-9,13H,4-7H2,1-3H3 |
InChIKey |
CIWODDRXKQTWOE-UHFFFAOYSA-N |
Molecular Weight |
212.289 g/mol |
SMILES |
C12(C3(C(C)(C)C(C2O)CC3)C)OCCO1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9767 |