| SpectraBase Spectrum ID |
ClAb124s6Vi |
| Name |
Bicyclo[2.2.1]hept-5-ene-2,2-dicarboxylic acid, 2-butyl 2-methyl ester |
| 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/c1-3-4-7-18-13(16)14(12(15)17-2)9-10-5-6-11(14)8-10/h5-6,10-11H,3-4,7-9H2,1-2H3 |
| InChIKey |
SONMRIBGKNMDIW-UHFFFAOYSA-N |
| Molecular Weight |
252.310 g/mol |
| SMILES |
CCCCOC(C1(CC2C=CC1C2)C(=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904695 |
![Bicyclo[2.2.1]hept-5-ene-2,2-dicarboxylic acid, 2-butyl 2-methyl ester](/api/spectrum/ClAb124s6Vi/structure.png?h=300&w=458 "Bicyclo[2.2.1]hept-5-ene-2,2-dicarboxylic acid, 2-butyl 2-methyl ester")
