| SpectraBase Spectrum ID |
Iw2JHCXb6Yg |
| Name |
6-(2',6'-Dimethylbicyclo[3.1.1]hept-2'-en-6'-yl)hex-3-en-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.167065327 u |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-11-7-8-13-10-14(11)15(13,3)9-5-4-6-12(2)16/h4,6-7,13-14H,5,8-10H2,1-3H3/b6-4+ |
| InChIKey |
GIZYNRLTFAXPFG-GQCTYLIASA-N |
| Molecular Weight |
218.340 g/mol |
| SMILES |
C12C(CC\C=C\C(=O)C)(C)C(C2)CC=C1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975335 |
![6-(2',6'-Dimethylbicyclo[3.1.1]hept-2'-en-6'-yl)hex-3-en-2-one](/api/spectrum/Iw2JHCXb6Yg/structure.png?h=300&w=458 "6-(2',6'-Dimethylbicyclo[3.1.1]hept-2'-en-6'-yl)hex-3-en-2-one")
