| SpectraBase Spectrum ID |
7X5HnxGDEV |
| Name |
(2S,2R)-(+)-1-pivaloyloxy-2-cyclohexanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
200.141244501 u |
| Formula |
C11H20O3 |
| InChI |
InChI=1S/C11H20O3/c1-11(2,3)10(13)14-9-7-5-4-6-8(9)12/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1 |
| InChIKey |
PPYCIDSWEDAMHN-DTWKUNHWSA-N |
| Molecular Weight |
200.278 g/mol |
| SMILES |
C(O[C@]1([C@@](O)(CCCC1)[H])[H])(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878863 |
