| SpectraBase Spectrum ID |
1BCSvGy2tjv |
| Name |
Dimethyl cis-bicyclo[3.3.0]octa-2,6-diene-1,5-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.089208927 u |
| Formula |
C12H14O4 |
| InChI |
InChI=1S/C12H14O4/c1-15-9(13)11-5-3-7-12(11,8-4-6-11)10(14)16-2/h3-5,8H,6-7H2,1-2H3/t11-,12+/m1/s1 |
| InChIKey |
SDFLLXXXURWTAX-NEPJUHHUSA-N |
| Molecular Weight |
222.240 g/mol |
| SMILES |
[C@]12([C@](C(=O)OC)(C=CC2)CC=C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957773 |
![Dimethyl cis-bicyclo[3.3.0]octa-2,6-diene-1,5-dicarboxylate](/api/spectrum/1BCSvGy2tjv/structure.png?h=300&w=458 "Dimethyl cis-bicyclo[3.3.0]octa-2,6-diene-1,5-dicarboxylate")
