| SpectraBase Compound ID | 865BB5UQj0i |
|---|---|
| InChI | InChI=1S/C15H13NO3/c1-8-6-7-16-13-11(8)14(17)9-4-5-10(18-2)15(19-3)12(9)13/h4-7H,1-3H3 |
| InChIKey | XIQAKPKEESCUGV-UHFFFAOYSA-N |
| Mol Weight | 255.27 g/mol |
| Molecular Formula | C15H13NO3 |
| Exact Mass | 255.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kz4uHgbZiUK |
|---|---|
| Name | 4-o-Methyl-ursuline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.089543280 u |
| Formula | C15H13NO3 |
| InChI | InChI=1S/C15H13NO3/c1-8-6-7-16-13-11(8)14(17)9-4-5-10(18-2)15(19-3)12(9)13/h4-7H,1-3H3 |
| InChIKey | XIQAKPKEESCUGV-UHFFFAOYSA-N |
| Molecular Weight | 255.273 g/mol |
| SMILES | C12=C(C(=O)C=3C2=NC=CC3C)C=CC(=C1OC)OC |