| SpectraBase Compound ID | LkW6hRLIbid |
|---|---|
| InChI | InChI=1S/C19H27NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h1-2,6,12,16-18,20-21H,5,7-11,13-15H2/b12-6+/t16?,17-,18-,19-/m1/s1 |
| InChIKey | CMFZDHBDAODUDL-DEJTZGQESA-N |
| Mol Weight | 285.43 g/mol |
| Molecular Formula | C19H27NO |
| Exact Mass | 285.209264 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HkmKean7vqK |
|---|---|
| Name | Histionicotoxin 285c |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H27NO |
| InChI | InChI=1S/C19H27NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h1-2,6,12,16-18,20-21H,5,7-11,13-15H2/b12-6+/t16?,17-,18-,19-/m1/s1 |
| InChIKey | CMFZDHBDAODUDL-DEJTZGQESA-N |
| Molecular Weight | 285.431 g/mol |
| SMILES | N1C(CCC[C@@]11[C@@]([C@@](CCC1)(O)[H])(\C=C\C#C)[H])CCCC#C |
| SPLASH | splash10-0002-8940000000-eeb14bf369e152b1a842 |
| Source of Spectrum | X2-68-1556-1575 |
| Wiley ID | 1610168 |