| SpectraBase Spectrum ID |
ET2DPzKiWfW |
| Name |
Diethyl 3-acetylbicyclo[4.3.0]non-1(6)-ene-8,8-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.162373868 u |
| Formula |
C17H24O5 |
| InChI |
InChI=1S/C17H24O5/c1-4-21-15(19)17(16(20)22-5-2)9-13-7-6-12(11(3)18)8-14(13)10-17/h12H,4-10H2,1-3H3 |
| InChIKey |
KVUVZPGBMHQWJP-UHFFFAOYSA-N |
| SMILES |
C1(CC=2CC(C(=O)C)CCC2C1)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91222 |
![Diethyl 3-acetylbicyclo[4.3.0]non-1(6)-ene-8,8-dicarboxylate](/api/spectrum/ET2DPzKiWfW/structure.png?h=300&w=458 "Diethyl 3-acetylbicyclo[4.3.0]non-1(6)-ene-8,8-dicarboxylate")
