| SpectraBase Compound ID | 1UGxhZ27Igi |
|---|---|
| InChI | InChI=1S/C16H18N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,7-8,14,17,19H,6,9H2,1-2H3/t14-,16+/m1/s1 |
| InChIKey | BGVUWLLRNRBDAY-ZBFHGGJFSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C16H18N2O |
| Exact Mass | 254.141913 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | kaPDi2ew7J |
|---|---|
| Name | (+)-Setoclavine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H18N2O |
| InChI | InChI=1S/C16H18N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,7-8,14,17,19H,6,9H2,1-2H3/t14-,16+/m1/s1 |
| InChIKey | BGVUWLLRNRBDAY-ZBFHGGJFSA-N |
| Molecular Weight | 254.333 g/mol |
| SMILES | O[C@]1(C=C2[C@@](Cc3c4c([nH]c3)cccc24)(N(C1)C)[H])C |
| SPLASH | splash10-0udi-0980000000-1d7db2d5c2e35319dea8 |
| Source of Spectrum | H1-67-296-8 |
| Wiley ID | 1593417 |