| SpectraBase Spectrum ID |
1gy3MrGAexA |
| Name |
Ethyl 2-(5'-oxo-endo-tricyclo[5.2.1.0(2',6')]deca-3',8'-dien-2'-yl)acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.109944372 u |
| Formula |
C14H16O3 |
| InChI |
InChI=1S/C14H16O3/c1-8(13(16)17-2)14-6-5-11(15)12(14)9-3-4-10(14)7-9/h3-6,8-10,12H,7H2,1-2H3/t8?,9?,10?,12?,14-/m1/s1 |
| InChIKey |
RUADGMGKVZNCCI-DQQVEXNZSA-N |
| Molecular Weight |
232.279 g/mol |
| SMILES |
[C@]12(C3C=CC(C2C(=O)C=C1)C3)C(C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810759 |
![Ethyl 2-(5'-oxo-endo-tricyclo[5.2.1.0(2',6')]deca-3',8'-dien-2'-yl)acetate](/api/spectrum/1gy3MrGAexA/structure.png?h=300&w=458 "Ethyl 2-(5'-oxo-endo-tricyclo[5.2.1.0(2',6')]deca-3',8'-dien-2'-yl)acetate")
