| SpectraBase Compound ID | 12mCDInmYko |
|---|---|
| InChI | InChI=1S/C16H20N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,8,12,14,17,19H,6-7,9H2,1-2H3/t12-,14+,16-/m0/s1 |
| InChIKey | PYBBWVXSIFAQEZ-BJJXKVORSA-N |
| Mol Weight | 256.35 g/mol |
| Molecular Formula | C16H20N2O |
| Exact Mass | 256.157563 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1vDK04D17ve |
|---|---|
| Name | (+)-8.alpha.-Hydroxycostaclavine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H20N2O |
| InChI | InChI=1S/C16H20N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,8,12,14,17,19H,6-7,9H2,1-2H3/t12-,14+,16-/m0/s1 |
| InChIKey | PYBBWVXSIFAQEZ-BJJXKVORSA-N |
| Molecular Weight | 256.349 g/mol |
| SMILES | [nH]1c2c3c([C@]4([C@](N(C[C@](C4)(O)C)C)(Cc3c1)[H])[H])ccc2 |
| SPLASH | splash10-0a4i-0490000000-1f5e812677b8b612cc0c |
| Source of Spectrum | H1-67-296-7 |
| Wiley ID | 1593418 |