| SpectraBase Compound ID | 2OEL0tZaVy7 |
|---|---|
| InChI | InChI=1S/C18H23NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,11,13-14,22H,1,5-9H2,2-3H3/t11-,13+,14+,17+,18-/m0/s1 |
| InChIKey | XCEPKQNOWNOSFH-CGPXFRKCSA-N |
| Mol Weight | 349.38 g/mol |
| Molecular Formula | C18H23NO6 |
| Exact Mass | 349.152537 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1juZdEcI1Eu |
|---|---|
| Name | Jacozine |
| Carrier Gas | Helium |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H23NO6 |
| GC Oven Program | Oven temp 280oC |
| InChI | InChI=1S/C18H23NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,11,13-14,22H,1,5-9H2,2-3H3/t11-,13+,14+,17+,18-/m0/s1 |
| InChIKey | XCEPKQNOWNOSFH-CGPXFRKCSA-N |
| Instrument Name | HP 6980-5972 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/cbdv.202200603 |
| Molecular Weight | 349.383 g/mol |
| SMILES | O[C@@]1(C(C[C@@]2(C(O[C@@]3(CCN4[C@@]3(C(=CC4)COC1=O)[H])[H])=O)[C@](C)(O2)[H])=C)C |
| SPLASH | splash10-0006-9600000000-954b01d279e28fc937a6 |
| Source of Spectrum | CBD-19-SM3-Jacozine |
| Wiley ID | 1880600 |