| SpectraBase Compound ID | 9gEzxuQj5ZN |
|---|---|
| InChI | InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1 |
| InChIKey | WZHJKEUHNJHDLS-QTGUNEKASA-N |
| Mol Weight | 403.53 g/mol |
| Molecular Formula | C25H29N3O2 |
| Exact Mass | 403.225977 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 4LYBfw6xvCR |
|---|---|
| Name | Metergoline |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 445606 |
| CAS Registry Number | 17692-51-2 |
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H29N3O2 |
| InChI | 1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1 |
| InChIKey | WZHJKEUHNJHDLS-QTGUNEKASA-N |
| Observed nucleus | 1H |
| Solvent | CDCl3 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | N-CBZ-[(8beta)-1,6-Dimethylergolin-8-yl]methylamine [(8beta)-1,6-Dimethylergolin-8-yl)methyl]carbamic acid phenylmethyl ester |
| Wiley ID | SIAL_1HNMR_009730 |