| SpectraBase Spectrum ID |
LwQABOKhTw5 |
| Name |
Ethyl endo-4-((E)-2-phenylethenyl)bicyclo[3.2.1]octa-2,6-diene-2-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.146329882 u |
| Formula |
C19H20O2 |
| InChI |
InChI=1S/C19H20O2/c1-2-21-19(20)18-13-16(15-10-11-17(18)12-15)9-8-14-6-4-3-5-7-14/h3-11,13,15-17H,2,12H2,1H3/b9-8+ |
| InChIKey |
UWPMNLNJUYRPEW-CMDGGOBGSA-N |
| SMILES |
C1(=CC(\C=C\C2=CC=CC=C2)C2CC1C=C2)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951877 |
![Ethyl endo-4-((E)-2-phenylethenyl)bicyclo[3.2.1]octa-2,6-diene-2-carboxylate](/api/spectrum/LwQABOKhTw5/structure.png?h=300&w=458 "Ethyl endo-4-((E)-2-phenylethenyl)bicyclo[3.2.1]octa-2,6-diene-2-carboxylate")
