| SpectraBase Compound ID | 5qLwKbQMYsr |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-3-4-5-6-9-7-10(13)8-11(15-2)12(9)14/h7-8,13-14H,3-6H2,1-2H3 |
| InChIKey | QYDCWUURASKCKV-UHFFFAOYSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3sUn3d5G337 |
|---|---|
| Name | Miconidin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.125594437 u |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-3-4-5-6-9-7-10(13)8-11(15-2)12(9)14/h7-8,13-14H,3-6H2,1-2H3 |
| InChIKey | QYDCWUURASKCKV-UHFFFAOYSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | C=1(C(=C(CCCCC)C=C(C1)O)O)OC |