| SpectraBase Spectrum ID |
I0EVUWrS4aK |
| Name |
(-)-(1'R)-4-( 6',6'-dimethylbicyclo[3.1.1]hept-2'-en-2'-yl)-butan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
192.151415263 u |
| Formula |
C13H20O |
| InChI |
InChI=1S/C13H20O/c1-9(14)4-5-10-6-7-11-8-12(10)13(11,2)3/h6,11-12H,4-5,7-8H2,1-3H3/t11?,12-/m0/s1 |
| InChIKey |
LHWRJGXMTVYJHO-KIYNQFGBSA-N |
| Molecular Weight |
192.302 g/mol |
| SMILES |
[C@]12(C(C)(C)C(C2)CC=C1CCC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968704 |
![(-)-(1'R)-4-( 6',6'-dimethylbicyclo[3.1.1]hept-2'-en-2'-yl)-butan-2-one](/api/spectrum/I0EVUWrS4aK/structure.png?h=300&w=458 "(-)-(1'R)-4-( 6',6'-dimethylbicyclo[3.1.1]hept-2'-en-2'-yl)-butan-2-one")
