| SpectraBase Spectrum ID |
JROQ88ZHIlK |
| Name |
(1S,3S)-2,2,3-Trimethylcyclopentanecarboxylic 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/c1-6-4-5-7(8(10)11)9(6,2)3/h6-7H,4-5H2,1-3H3,(H,10,11)/t6-,7+/m0/s1 |
| InChIKey |
LYJVKLGSDVKQPY-NKWVEPMBSA-N |
| Molecular Weight |
156.225 g/mol |
| SMILES |
CC1([C@](CC[C@@]1(C(O)=O)[H])(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878852 |
