| SpectraBase Spectrum ID |
L8cbHaEMrJf |
| Name |
Diethyl 3-butyltricyclo[4.3.1.0(1,6)]deca-2,4-diene-8,8-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.198759378 u |
| Formula |
C20H28O4 |
| InChI |
InChI=1S/C20H28O4/c1-4-7-8-15-9-10-18-12-19(18,11-15)14-20(13-18,16(21)23-5-2)17(22)24-6-3/h9-11H,4-8,12-14H2,1-3H3 |
| InChIKey |
NOZAECFEPKUGQD-UHFFFAOYSA-N |
| Molecular Weight |
332.440 g/mol |
| SMILES |
C123C=C(C=CC3(CC(C1)(C(=O)OCC)C(=O)OCC)C2)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94076 |
![Diethyl 3-butyltricyclo[4.3.1.0(1,6)]deca-2,4-diene-8,8-dicarboxylate](/api/spectrum/L8cbHaEMrJf/structure.png?h=300&w=458 "Diethyl 3-butyltricyclo[4.3.1.0(1,6)]deca-2,4-diene-8,8-dicarboxylate")
