| SpectraBase Spectrum ID |
DLLxjT3kjYS |
| Name |
(1R,5S)-2,2,5-Trimethyl-1-cyclopentanecarboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
156.115029753 u |
| Formula |
C9H16O2 |
| InChI |
InChI=1S/C9H16O2/c1-6-4-5-9(2,3)7(6)8(10)11/h6-7H,4-5H2,1-3H3,(H,10,11)/t6-,7-/m0/s1 |
| InChIKey |
UKILVNZAYMIJNP-BQBZGAKWSA-N |
| Molecular Weight |
156.225 g/mol |
| SMILES |
C([C@]1(C(CC[C@@]1(C)[H])(C)C)[H])(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9791 |
