| SpectraBase Compound ID | 6sFv01kWSVU |
|---|---|
| InChI | InChI=1S/C10H18O3/c1-8(7-11)5-4-6-9(12)10(2,3)13/h5,11,13H,4,6-7H2,1-3H3/b8-5+ |
| InChIKey | JLBDXOASLMOWPD-VMPITWQZSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C10H18O3 |
| Exact Mass | 186.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C0alCevdiW8 |
|---|---|
| Name | 6-Octen-3-one, 2,8-dihydroxy-2,7-dimethyl-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.125594437 u |
| Formula | C10H18O3 |
| InChI | InChI=1S/C10H18O3/c1-8(7-11)5-4-6-9(12)10(2,3)13/h5,11,13H,4,6-7H2,1-3H3/b8-5+ |
| InChIKey | JLBDXOASLMOWPD-VMPITWQZSA-N |
| Molecular Weight | 186.251 g/mol |
| SMILES | C(C(=O)CC\C=C\(CO)C)(O)(C)C |