| SpectraBase Spectrum ID |
3MLn61NIZNH |
| Name |
Bicyclo[5.4.2]trideca-1(11),8,12-triene-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.120115134 u |
| Formula |
C13H16O |
| InChI |
InChI=1S/C13H16O/c14-13-9-7-11-3-1-2-4-12(6-5-11)8-10-13/h1,3-6,11H,2,7-10H2/b3-1-,6-5-,12-4+ |
| InChIKey |
YABHIGVYOCHGGM-BWKCCLSMSA-N |
| Molecular Weight |
188.270 g/mol |
| SMILES |
C12\C=C/C(CCC(CC2)=O)=C\C\C=C/1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971704 |
![Bicyclo[5.4.2]trideca-1(11),8,12-triene-4-one](/api/spectrum/3MLn61NIZNH/structure.png?h=300&w=458 "Bicyclo[5.4.2]trideca-1(11),8,12-triene-4-one")
