| SpectraBase Spectrum ID |
4TYXdot6y4l |
| Name |
Bicyclo[2.2.1]heptane-2-carboxylic acid, 6-oxo-, (R1,trans-2,cis-4)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
154.062994179 u |
| Formula |
C8H10O3 |
| InChI |
InChI=1S/C8H10O3/c9-7-3-4-1-5(7)6(2-4)8(10)11/h4-6H,1-3H2,(H,10,11)/t4-,5+,6+/m0/s1 |
| InChIKey |
RUOYCLYBCGDWPG-KVQBGUIXSA-N |
| SMILES |
C1C([C@]2([C@@](C[C@@]1(C2)[H])(C(=O)O)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975223 |
![Bicyclo[2.2.1]heptane-2-carboxylic acid, 6-oxo-, (R1,trans-2,cis-4)-](/api/spectrum/4TYXdot6y4l/structure.png?h=300&w=458 "Bicyclo[2.2.1]heptane-2-carboxylic acid, 6-oxo-, (R1,trans-2,cis-4)-")
