| SpectraBase Spectrum ID |
HXN19l2ifNR |
| Name |
2-Oxabicyclo[2.2.2]oct-5-ene-3,3-dicarboxylic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.115423675 u |
| Formula |
C13H18O5 |
| InChI |
InChI=1S/C13H18O5/c1-3-16-11(14)13(12(15)17-4-2)9-5-7-10(18-13)8-6-9/h5,7,9-10H,3-4,6,8H2,1-2H3/t9-,10+/m0/s1 |
| InChIKey |
CDWKQQJMZZEEGK-VHSXEESVSA-N |
| Molecular Weight |
254.282 g/mol |
| SMILES |
C(OCC)(=O)C1(C(OCC)=O)[C@@]2(CC[C@](O1)(C=C2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959026 |
![2-Oxabicyclo[2.2.2]oct-5-ene-3,3-dicarboxylic acid, diethyl ester](/api/spectrum/HXN19l2ifNR/structure.png?h=300&w=458 "2-Oxabicyclo[2.2.2]oct-5-ene-3,3-dicarboxylic acid, diethyl ester")
