| SpectraBase Compound ID | 1OCaRkT1m8r |
|---|---|
| InChI | InChI=1S/C20H24N2O2/c1-4-8-22-12-14(20(23)24-3)9-16-15-6-5-7-17-19(15)13(10-18(16)22)11-21(17)2/h4-7,11,14,16,18H,1,8-10,12H2,2-3H3 |
| InChIKey | YLAAOWRCWRUWDU-UHFFFAOYSA-N |
| Mol Weight | 324.42 g/mol |
| Molecular Formula | C20H24N2O2 |
| Exact Mass | 324.183778 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BnF2QtQqCJ |
|---|---|
| Name | Cabergoline artifact (-cooh) 2me P1058 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.183778019 u |
| Formula | C20H24N2O2 |
| InChI | InChI=1S/C20H24N2O2/c1-4-8-22-12-14(20(23)24-3)9-16-15-6-5-7-17-19(15)13(10-18(16)22)11-21(17)2/h4-7,11,14,16,18H,1,8-10,12H2,2-3H3 |
| InChIKey | YLAAOWRCWRUWDU-UHFFFAOYSA-N |
| Molecular Weight | 324.424 g/mol |
| SMILES | C=1C2=C3C(=CC1)N(C=C3CC1C2CC(C(=O)OC)CN1CC=C)C |