| SpectraBase Compound ID | 1EycDQ6zAQi |
|---|---|
| InChI | InChI=1S/C13H10O4/c1-2-15-13-11-9(5-6-16-11)7-8-3-4-10(14)17-12(8)13/h3-7H,2H2,1H3 |
| InChIKey | FDNAQBKTQHGTPE-UHFFFAOYSA-N |
| Mol Weight | 230.22 g/mol |
| Molecular Formula | C13H10O4 |
| Exact Mass | 230.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | zOpP2Hgc4c |
|---|---|
| Name | 8-Ethoxypsoralen |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.057908798 u |
| Formula | C13H10O4 |
| InChI | InChI=1S/C13H10O4/c1-2-15-13-11-9(5-6-16-11)7-8-3-4-10(14)17-12(8)13/h3-7H,2H2,1H3 |
| InChIKey | FDNAQBKTQHGTPE-UHFFFAOYSA-N |
| Molecular Weight | 230.219 g/mol |
| SMILES | C=1C2=C(C(=C3C(=C2)C=CC(O3)=O)OCC)OC1 |