| SpectraBase Compound ID | 48jNHKhbbcE |
|---|---|
| InChI | InChI=1S/C22H33N/c1-16-9-10-19-21(4,17(16)8-6-15-23)14-11-18-20(2,3)12-7-13-22(18,19)5/h6,8-9,17-19H,7,10-14H2,1-5H3/b8-6+/t17-,18?,19?,21-,22-/m1/s1 |
| InChIKey | OKGVVVYJSUIAKW-FPHANLHNSA-N |
| Mol Weight | 311.5 g/mol |
| Molecular Formula | C22H33N |
| Exact Mass | 311.2613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B7YwK7VW6Q |
|---|---|
| Name | ent-(14.alpha. H)-Isocopal-12-en-15-ylideneacetonitriles E-isomer |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.261300067 u |
| Formula | C22H33N |
| InChI | InChI=1S/C22H33N/c1-16-9-10-19-21(4,17(16)8-6-15-23)14-11-18-20(2,3)12-7-13-22(18,19)5/h6,8-9,17-19H,7,10-14H2,1-5H3/b8-6+/t17-,18?,19?,21-,22-/m1/s1 |
| InChIKey | OKGVVVYJSUIAKW-FPHANLHNSA-N |
| Molecular Weight | 311.513 g/mol |
| SMILES | [C@@]12(C([C@@]3(CCCC(C3CC2)(C)C)C)CC=C([C@]1(\C=C\C#N)[H])C)C |