| SpectraBase Compound ID | 6mkaHOKUYIy |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-4-5-9(13)8-6-10(15-2)12(14)11(7-8)16-3/h6-7,14H,4-5H2,1-3H3 |
| InChIKey | QFHXMVPZYYMTCS-UHFFFAOYSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C12H16O4 |
| Exact Mass | 224.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7YpXU1T3Dgg |
|---|---|
| Name | Butylsyringone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.104858991 u |
| Formula | C12H16O4 |
| InChI | InChI=1S/C12H16O4/c1-4-5-9(13)8-6-10(15-2)12(14)11(7-8)16-3/h6-7,14H,4-5H2,1-3H3 |
| InChIKey | QFHXMVPZYYMTCS-UHFFFAOYSA-N |
| Molecular Weight | 224.256 g/mol |
| SMILES | C(CCC)(=O)C1=CC(=C(C(=C1)OC)O)OC |