| SpectraBase Spectrum ID |
HYlAifgzQW9 |
| Name |
1-Methyl-7-ethenyl-6-benzoyloxy-bicyclo[2.2.2]oct-2-ene-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.125594437 u |
| Formula |
C18H18O3 |
| InChI |
InChI=1S/C18H18O3/c1-3-14-11-13-9-10-18(14,2)16(15(13)19)21-17(20)12-7-5-4-6-8-12/h3-10,13-14,16H,1,11H2,2H3 |
| InChIKey |
CUEBSKFONIJHOK-UHFFFAOYSA-N |
| SMILES |
C1(C2(C=CC(C1=O)CC2C=C)C)OC(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946868 |
![1-Methyl-7-ethenyl-6-benzoyloxy-bicyclo[2.2.2]oct-2-ene-5-one](/api/spectrum/HYlAifgzQW9/structure.png?h=300&w=458 "1-Methyl-7-ethenyl-6-benzoyloxy-bicyclo[2.2.2]oct-2-ene-5-one")
