| SpectraBase Spectrum ID |
1ySpUyCTXk |
| Name |
(S)-3-Hydroxy-2,2-dimethylcyclohexanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
142.099379689 u |
| Formula |
C8H14O2 |
| InChI |
InChI=1S/C8H14O2/c1-8(2)6(9)4-3-5-7(8)10/h6,9H,3-5H2,1-2H3/t6-/m0/s1 |
| InChIKey |
MAGFJLNBFXFQGX-LURJTMIESA-N |
| Instrument Name |
Agilent 5973N-6890N GC |
| Ionization Type |
EI |
| Literature Reference DOI |
10.24820/ark.5550190.p011.915 |
| Molecular Weight |
142.198 g/mol |
| Optical Rotation |
[a]D25 = +23.1 (c = 1, CHCl3) |
| Quality |
590 |
| SMILES |
O[C@@]1(C(C(CCC1)=O)(C)C)[H] |
| SPLASH |
splash10-00rx-9000000000-104bb76d9ecdbfb17857 |
| Sample Comments |
96% ee |
| Source of Spectrum |
ARK-2023-51-(S)-1b (DOI: 10.24820/ark.5550190.p011.915) |
| Thin-Layer Chromatography |
0.12 (Et2O/pentane, 1:1) |
| Wiley ID |
1911245 |
