| SpectraBase Compound ID | H7qot7dEmgc |
|---|---|
| InChI | InChI=1S/C18H26ClNO6/c1-10-8-18(24,11(2)19)16(22)26-13-5-7-20-6-4-12(14(13)20)9-25-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17+,18+/m1/s1 |
| InChIKey | CKPJPJSVQMEGBC-HRKZPBNPSA-N |
| Mol Weight | 387.86 g/mol |
| Molecular Formula | C18H26ClNO6 |
| Exact Mass | 387.144865 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fd3FTxJBd9s |
|---|---|
| Name | Jaconine |
| Carrier Gas | Helium |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H26ClNO6 |
| GC Oven Program | Oven temp 280oC |
| InChI | InChI=1S/C18H26ClNO6/c1-10-8-18(24,11(2)19)16(22)26-13-5-7-20-6-4-12(14(13)20)9-25-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17+,18+/m1/s1 |
| InChIKey | CKPJPJSVQMEGBC-HRKZPBNPSA-N |
| Instrument Name | HP 6980-5972 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/cbdv.202200603 |
| Molecular Weight | 387.860 g/mol |
| SMILES | O[C@]1(C(O[C@]2([C@]3(C(COC([C@]([C@@](C1)(C)[H])(O)C)=O)=CCN3CC2)[H])[H])=O)[C@](Cl)(C)[H] |
| SPLASH | splash10-006x-9400000000-08566079025f619955ac |
| Source of Spectrum | CBD-19-SM3-Jaconine |
| Wiley ID | 1880599 |