| SpectraBase Compound ID | DHH2zl96gIh |
|---|---|
| InChI | InChI=1S/C17H19N3O/c1-18-17(21)11-6-13-12-4-3-5-14-16(12)10(8-19-14)7-15(13)20(2)9-11/h3-6,8,11,15,19H,7,9H2,1-2H3,(H,18,21) |
| InChIKey | NINBUXQQTOVMAB-UHFFFAOYSA-N |
| Mol Weight | 281.36 g/mol |
| Molecular Formula | C17H19N3O |
| Exact Mass | 281.152812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LazLsN36Gjd |
|---|---|
| Name | Ergoline-8-carboxamide, 9,10-didehydro-N,6-dimethyl-, (8.beta.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.152812243 u |
| Formula | C17H19N3O |
| InChI | InChI=1S/C17H19N3O/c1-18-17(21)11-6-13-12-4-3-5-14-16(12)10(8-19-14)7-15(13)20(2)9-11/h3-6,8,11,15,19H,7,9H2,1-2H3,(H,18,21) |
| InChIKey | NINBUXQQTOVMAB-UHFFFAOYSA-N |
| SMILES | C=1NC=2C3=C(C4=CC(CN(C4CC13)C)C(=O)NC)C=CC2 |