| SpectraBase Compound ID | LMA75W9ptjd |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-10(13)8-9-11-6-4-2-3-5-7-12(11)14/h10-11,13H,2-9H2,1H3 |
| InChIKey | QNNHUUXRJMLXSP-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DdZ4YU5Bzc1 |
|---|---|
| Name | 2-(3-Hydroxybutyl)cyclooctanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-10(13)8-9-11-6-4-2-3-5-7-12(11)14/h10-11,13H,2-9H2,1H3 |
| InChIKey | QNNHUUXRJMLXSP-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | C1CCCC(C(CC1)CCC(C)O)=O |