| SpectraBase Spectrum ID |
3ngiJytkRX |
| Name |
1,2,2-Trimethyl-3-oxidanylidene-cyclopentane-1-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
170.094294308 u |
| Formula |
C9H14O3 |
| InChI |
InChI=1S/C9H14O3/c1-8(2)6(10)4-5-9(8,3)7(11)12/h4-5H2,1-3H3,(H,11,12) |
| InChIKey |
LRGIELAZPCCUKY-UHFFFAOYSA-N |
| Molecular Weight |
170.208 g/mol |
| SMILES |
C1(C(C(=O)CC1)(C)C)(C(=O)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977877 |
