| SpectraBase Compound ID | KqZiZutv16u |
|---|---|
| InChI | InChI=1S/C17H22N2O2/c1-19-9-11(10-20)7-17(21-2)13-4-3-5-14-16(13)12(8-18-14)6-15(17)19/h3-5,8,11,15,18,20H,6-7,9-10H2,1-2H3 |
| InChIKey | JGQZSBLQHCTAJF-UHFFFAOYSA-N |
| Mol Weight | 286.38 g/mol |
| Molecular Formula | C17H22N2O2 |
| Exact Mass | 286.168128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 40PVtnrmjXl |
|---|---|
| Name | Ergoline-8-methanol, 10-methoxy-6-methyl-, (8.beta.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.168127954 u |
| Formula | C17H22N2O2 |
| InChI | InChI=1S/C17H22N2O2/c1-19-9-11(10-20)7-17(21-2)13-4-3-5-14-16(13)12(8-18-14)6-15(17)19/h3-5,8,11,15,18,20H,6-7,9-10H2,1-2H3 |
| InChIKey | JGQZSBLQHCTAJF-UHFFFAOYSA-N |
| SMILES | COC12C3=C4C(CC2N(C)CC(C1)CO)=CNC4=CC=C3 |