| SpectraBase Spectrum ID |
7f6t34rViaB |
| Name |
Bicyclo[2.1.1]hexane-1-carboxylic acid, 5,5-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
154.099379689 u |
| Formula |
C9H14O2 |
| InChI |
InChI=1S/C9H14O2/c1-8(2)6-3-4-9(8,5-6)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)/t6-,9+/m0/s1 |
| InChIKey |
CMISKJNMLQUXEF-IMTBSYHQSA-N |
| Molecular Weight |
154.209 g/mol |
| SMILES |
OC([C@@]12CC[C@](C2(C)C)(C1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980803 |
![Bicyclo[2.1.1]hexane-1-carboxylic acid, 5,5-dimethyl-](/api/spectrum/7f6t34rViaB/structure.png?h=300&w=458 "Bicyclo[2.1.1]hexane-1-carboxylic acid, 5,5-dimethyl-")
