| SpectraBase Compound ID | JRAFPXObQ7a |
|---|---|
| InChI | InChI=1S/C22H29N3O2.ClH/c1-5-9-25-13-15(24-21(26)27-22(2,3)4)11-17-16-7-6-8-18-20(16)14(12-23-18)10-19(17)25;/h5-8,12,15,17,19,23H,1,9-11,13H2,2-4H3,(H,24,26);1H/t15-,17+,19+;/m0./s1 |
| InChIKey | MUBDGXGFVLLXCH-JJVPLXBWSA-N |
| Mol Weight | 403.95 g/mol |
| Molecular Formula | C22H30ClN3O2 |
| Exact Mass | 403.202655 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KCdlQfz0tLl |
|---|---|
| Name | (5r,8s,10r)-6-allyl-8-(tert-butoxycarbonylamino)ergoline hydrochloride |
| Alternate Name(s) | tert-Butyl (8alpha)-6-allylergolin-8-ylcarbamate hydrochloride |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30ClN3O2 |
| InChI | InChI=1S/C22H29N3O2.ClH/c1-5-9-25-13-15(24-21(26)27-22(2,3)4)11-17-16-7-6-8-18-20(16)14(12-23-18)10-19(17)25;/h5-8,12,15,17,19,23H,1,9-11,13H2,2-4H3,(H,24,26);1H/t15-,17+,19+;/m0./s1 |
| InChIKey | MUBDGXGFVLLXCH-JJVPLXBWSA-N |
| Molecular Weight | 403.954 g/mol |
| SMILES | Cl.[nH]1c2c3c([C@@]4([C@](N(C[C@@](NC(OC(C)(C)C)=O)(C4)[H])CC=C)(Cc3c1)[H])[H])ccc2 |
| SPLASH | splash10-01ot-0079000000-f5cbe69c38abfcec10ef |
| Source of Spectrum | H-69-248-7 |
| Wiley ID | 1370888 |