| SpectraBase Compound ID | HFlKJyEOP7f |
|---|---|
| InChI | InChI=1S/C14H14O3/c1-3-4-5-10-8-11-6-7-14(15)17-13(11)9-12(10)16-2/h3-4,6-9H,5H2,1-2H3/b4-3+ |
| InChIKey | DXKIDZMWMDJIBH-ONEGZZNKSA-N |
| Mol Weight | 230.26 g/mol |
| Molecular Formula | C14H14O3 |
| Exact Mass | 230.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3eAWbTv9c6C |
|---|---|
| Name | 6-(but-2-Enyl)-7-methoxycoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.094294308 u |
| Formula | C14H14O3 |
| InChI | InChI=1S/C14H14O3/c1-3-4-5-10-8-11-6-7-14(15)17-13(11)9-12(10)16-2/h3-4,6-9H,5H2,1-2H3/b4-3+ |
| InChIKey | DXKIDZMWMDJIBH-ONEGZZNKSA-N |
| Molecular Weight | 230.263 g/mol |
| SMILES | C1=2OC(=O)C=CC2C=C(C\C=C\C)C(=C1)OC |