| SpectraBase Compound ID | 5FV086j4MWs |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-4-5-9(11-3)7-6-8(2)10/h9H,4-7H2,1-3H3/t9-/m0/s1 |
| InChIKey | JBYZNJCCCHMPAR-VIFPVBQESA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GRVfumsAN69 |
|---|---|
| Name | 5-Methoxyoctan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.130679818 u |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-4-5-9(11-3)7-6-8(2)10/h9H,4-7H2,1-3H3/t9-/m0/s1 |
| InChIKey | JBYZNJCCCHMPAR-VIFPVBQESA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | C(=O)(CC[C@@](OC)(CCC)[H])C |