| SpectraBase Spectrum ID |
6w3pheWPGMG |
| Name |
Trans-2,3-di(ethoxycarbonyl)-bicyclo[2.2.2]oct-5-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.136159120 u |
| Formula |
C14H20O4 |
| InChI |
InChI=1S/C14H20O4/c1-3-17-13(15)11-9-5-7-10(8-6-9)12(11)14(16)18-4-2/h5,7,9-12H,3-4,6,8H2,1-2H3/t9-,10?,11-,12?/m0/s1 |
| InChIKey |
CMGXETSNEFQLLJ-VOBJUBJWSA-N |
| Molecular Weight |
252.310 g/mol |
| SMILES |
[C@@]1(C(C(=O)OCC)C2C=C[C@]1(CC2)[H])(C(=O)OCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835245 |
![Trans-2,3-di(ethoxycarbonyl)-bicyclo[2.2.2]oct-5-ene](/api/spectrum/6w3pheWPGMG/structure.png?h=300&w=458 "Trans-2,3-di(ethoxycarbonyl)-bicyclo[2.2.2]oct-5-ene")
