| SpectraBase Spectrum ID |
1Al1E8rMpY8 |
| Name |
(1.alpha.,5.alpha.,7.alpha.)-7-(T-Butyl)-5-methylbicyclo[3.2.0]heptan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
180.151415263 u |
| Formula |
C12H20O |
| InChI |
InChI=1S/C12H20O/c1-11(2,3)8-7-12(4)6-5-9(13)10(8)12/h8,10H,5-7H2,1-4H3/t8-,10-,12-/m0/s1 |
| InChIKey |
OGHNKENNKQUEOB-PEXQALLHSA-N |
| Molecular Weight |
180.291 g/mol |
| SMILES |
[C@]12([C@@](C(=O)CC2)([H])[C@](C1)(C(C)(C)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976119 |
![(1.alpha.,5.alpha.,7.alpha.)-7-(t-Butyl)-5-methylbicyclo[3.2.0]heptan-2-one](/api/spectrum/1Al1E8rMpY8/structure.png?h=300&w=458 "(1.alpha.,5.alpha.,7.alpha.)-7-(t-Butyl)-5-methylbicyclo[3.2.0]heptan-2-one")
