| SpectraBase Spectrum ID |
J28iWCr8tgq |
| Name |
3,4-Dimethyl-1-(2,3,3-trimethylcyclopent-1-enyl)bicyclo[2.2.1]-heptan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.198365456 u |
| Formula |
C17H26O |
| InChI |
InChI=1S/C17H26O/c1-11-13(6-7-15(11,3)4)17-9-8-16(5,10-17)12(2)14(17)18/h12H,6-10H2,1-5H3/t12-,16+,17-/m0/s1 |
| InChIKey |
QEUYZZJREJZRTI-VUCTXSBTSA-N |
| Molecular Weight |
246.394 g/mol |
| SMILES |
[C@@]1(C([C@@]2(C[C@]1(CC2)C)C1=C(C(C)(C)CC1)C)=O)([H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954886 |
![3,4-Dimethyl-1-(2,3,3-trimethylcyclopent-1-enyl)bicyclo[2.2.1]-heptan-2-one](/api/spectrum/J28iWCr8tgq/structure.png?h=300&w=458 "3,4-Dimethyl-1-(2,3,3-trimethylcyclopent-1-enyl)bicyclo[2.2.1]-heptan-2-one")
