| SpectraBase Spectrum ID |
5DQMZLpk2L |
| Name |
2-Propanone, 1-(1,5,5-trimethylbicyclo[4.1.0]hept-2-en-7-yl)-, (1.alpha.,6.alpha.,7.alpha.)- |
| 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)8-10-11-12(2,3)6-5-7-13(10,11)4/h5,7,10-11H,6,8H2,1-4H3 |
| InChIKey |
WMIPSHPBBUCNHI-UHFFFAOYSA-N |
| Molecular Weight |
192.302 g/mol |
| SMILES |
C12(C(CC(=O)C)C2C(C)(C)CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880828 |
![2-Propanone, 1-(1,5,5-trimethylbicyclo[4.1.0]hept-2-en-7-yl)-, (1.alpha.,6.alpha.,7.alpha.)-](/api/spectrum/5DQMZLpk2L/structure.png?h=300&w=458 "2-Propanone, 1-(1,5,5-trimethylbicyclo[4.1.0]hept-2-en-7-yl)-, (1.alpha.,6.alpha.,7.alpha.)-")
