| SpectraBase Compound ID | 9DFM6NoA33w |
|---|---|
| InChI | InChI=1S/C11H14O4/c1-6(2)3-8(13)11-9(14)4-7(12)5-10(11)15/h4-6,12,14-15H,3H2,1-2H3 |
| InChIKey | VSDWHZGJGWMIRN-UHFFFAOYSA-N |
| Mol Weight | 210.23 g/mol |
| Molecular Formula | C11H14O4 |
| Exact Mass | 210.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Q3hfIALjOX |
|---|---|
| Name | Preleptospermone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.089208927 u |
| Formula | C11H14O4 |
| InChI | InChI=1S/C11H14O4/c1-6(2)3-8(13)11-9(14)4-7(12)5-10(11)15/h4-6,12,14-15H,3H2,1-2H3 |
| InChIKey | VSDWHZGJGWMIRN-UHFFFAOYSA-N |
| Molecular Weight | 210.229 g/mol |
| SMILES | C(CC(C)C)(=O)C1=C(C=C(C=C1O)O)O |