| SpectraBase Compound ID | FCr01RxwQTA |
|---|---|
| InChI | InChI=1S/C15H14O4/c1-8(2)13-15(19-13)12-10(17-3)6-4-9-5-7-11(16)18-14(9)12/h4-7,13,15H,1H2,2-3H3/t13-,15-/m1/s1 |
| InChIKey | YTDNHMHONBWCBV-UKRRQHHQSA-N |
| Mol Weight | 258.27 g/mol |
| Molecular Formula | C15H14O4 |
| Exact Mass | 258.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Eu8O8MZnky |
|---|---|
| Name | Phebalosin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.089208927 u |
| Formula | C15H14O4 |
| InChI | InChI=1S/C15H14O4/c1-8(2)13-15(19-13)12-10(17-3)6-4-9-5-7-11(16)18-14(9)12/h4-7,13,15H,1H2,2-3H3/t13-,15-/m1/s1 |
| InChIKey | YTDNHMHONBWCBV-UKRRQHHQSA-N |
| Molecular Weight | 258.273 g/mol |
| SMILES | [C@]1(O[C@@]1(C(=C)C)[H])(C1=C2OC(=O)C=CC2=CC=C1OC)[H] |