| SpectraBase Compound ID | GwNEyUTllP0 |
|---|---|
| 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/h2,5-6,12,16-18,20-21H,1,7-11,13-15H2/b12-6- |
| InChIKey | FQVXLUMKQROGDW-SDQBBNPISA-N |
| Mol Weight | 285.43 g/mol |
| Molecular Formula | C19H27NO |
| Exact Mass | 285.209264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbN2r6HlUNB |
|---|---|
| Name | Histrioniconicotoxin 285A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.209264492 u |
| 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/h2,5-6,12,16-18,20-21H,1,7-11,13-15H2/b12-6- |
| InChIKey | FQVXLUMKQROGDW-SDQBBNPISA-N |
| SMILES | C1C(NC2(CC1)CCCC(C2\C=C/C#C)O)CCC=C=C |