| SpectraBase Spectrum ID |
4uLm2IqWonu |
| Name |
Bicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
196.109944372 u |
| Formula |
C11H16O3 |
| InChI |
InChI=1S/C11H16O3/c1-9(2)10(3)4-5-11(9,8(13)14)6-7(10)12/h4-6H2,1-3H3,(H,13,14)/t10-,11+/m0/s1 |
| InChIKey |
RKFCLVFAFZYVCG-WDEREUQCSA-N |
| Molecular Weight |
196.246 g/mol |
| SMILES |
C1(C[C@]2(CC[C@@]1(C2(C)C)C)C(O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914563 |
![Bicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-](/api/spectrum/4uLm2IqWonu/structure.png?h=300&w=458 "Bicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-")
