| SpectraBase Compound ID | IzAvLj5Fwfo |
|---|---|
| InChI | InChI=1S/C13H22O2/c1-3-4-5-6-12-11(9-10(2)14)7-8-13(12)15/h11-12H,3-9H2,1-2H3/t11-,12-/m0/s1 |
| InChIKey | PMVDYAQAPLAXSY-RYUDHWBXSA-N |
| Mol Weight | 210.32 g/mol |
| Molecular Formula | C13H22O2 |
| Exact Mass | 210.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J7E2aRBrWYp |
|---|---|
| Name | (+/-)-3-(2-oxopropyl)-2-pentylcyclopentanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.161979946 u |
| Formula | C13H22O2 |
| InChI | InChI=1S/C13H22O2/c1-3-4-5-6-12-11(9-10(2)14)7-8-13(12)15/h11-12H,3-9H2,1-2H3/t11-,12-/m0/s1 |
| InChIKey | PMVDYAQAPLAXSY-RYUDHWBXSA-N |
| Molecular Weight | 210.317 g/mol |
| SMILES | C(=O)(C[C@]1([C@@](C(CC1)=O)(CCCCC)[H])[H])C |