| SpectraBase Spectrum ID |
LYC0APvx7n8 |
| Name |
4-Benzylidene-2,2-dimethylbicyclo[3.2.1]oct-6-en-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.135765199 u |
| Formula |
C17H18O |
| InChI |
InChI=1S/C17H18O/c1-17(2)14-9-8-13(11-14)15(16(17)18)10-12-6-4-3-5-7-12/h3-10,13-14H,11H2,1-2H3/b15-10+ |
| InChIKey |
LQTVKUWEQIKXAF-XNTDXEJSSA-N |
| Molecular Weight |
238.330 g/mol |
| SMILES |
C1(\C(C2CC(C1(C)C)C=C2)=C\C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925717 |
![4-Benzylidene-2,2-dimethylbicyclo[3.2.1]oct-6-en-3-one](/api/spectrum/LYC0APvx7n8/structure.png?h=300&w=458 "4-Benzylidene-2,2-dimethylbicyclo[3.2.1]oct-6-en-3-one")
