| SpectraBase Spectrum ID |
7McEACfjP5r |
| Name |
Cyclohexanecarboxylic acid, 4-hydroxy-4-methyl-, methyl ester, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
172.109944372 u |
| Formula |
C9H16O3 |
| InChI |
InChI=1S/C9H16O3/c1-9(11)5-3-7(4-6-9)8(10)12-2/h7,11H,3-6H2,1-2H3/t7-,9- |
| InChIKey |
UKIBRJFOBWYRKE-XWEPSHTISA-N |
| Molecular Weight |
172.224 g/mol |
| SMILES |
C([C@]1(CC[C@@](CC1)(O)C)[H])(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928868 |
