| SpectraBase Compound ID | DFew1z8Hmms |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-2-3-4-5-6-11(13)9-12(14)10-7-8-10/h10-11,13H,2-9H2,1H3 |
| InChIKey | DYXLKVKQQVETSG-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hKPhLEVCtm |
|---|---|
| Name | 1-Cyclopropyl-3-hydroxynonan-1-one |
| 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/c1-2-3-4-5-6-11(13)9-12(14)10-7-8-10/h10-11,13H,2-9H2,1H3 |
| InChIKey | DYXLKVKQQVETSG-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | C1(C(CC(O)CCCCCC)=O)CC1 |