| SpectraBase Compound ID | 6lDDHziGbl8 |
|---|---|
| InChI | InChI=1S/C18H25NO6/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/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1 |
| InChIKey | IAPHXJRHXBQDQJ-WKMWQDDRSA-N |
| Mol Weight | 351.4 g/mol |
| Molecular Formula | C18H25NO6 |
| Exact Mass | 351.168188 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Hm3fL5urgjo |
|---|---|
| Name | Jacobine |
| Carrier Gas | Helium |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H25NO6 |
| GC Oven Program | Oven temp 280oC |
| InChI | InChI=1S/C18H25NO6/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/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1 |
| InChIKey | IAPHXJRHXBQDQJ-WKMWQDDRSA-N |
| Instrument Name | HP 6980-5972 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/cbdv.202200603 |
| Molecular Weight | 351.399 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)[H])C |
| SPLASH | splash10-006x-9800000000-1a906b9ad61fda58d880 |
| Source of Spectrum | CBD-19-SM3-Jacobine |
| Wiley ID | 1880598 |