| SpectraBase Spectrum ID |
YBDezlxA38 |
| Name |
2-Propanone, 1-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
178.135765199 u |
| Formula |
C12H18O |
| InChI |
InChI=1S/C12H18O/c1-8(13)6-9-4-5-10-7-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3 |
| InChIKey |
MIKVIBAGTDOCKH-UHFFFAOYSA-N |
| Molecular Weight |
178.275 g/mol |
| SMILES |
C12C(=CCC(C2)C1(C)C)CC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969443 |
![2-Propanone, 1-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-](/api/spectrum/YBDezlxA38/structure.png?h=300&w=458 "2-Propanone, 1-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-")
