| SpectraBase Compound ID | A2WVX5D6eYo |
|---|---|
| InChI | InChI=1S/C21H24N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,10,12-13,16-18,20,24H,7-9H2,1-2H3/t10-,12-,13-,16-,17-,18-,20+,21+/m0/s1 |
| InChIKey | XIMPCXFLDSKALH-AFXVYWMKSA-N |
| Mol Weight | 352.43 g/mol |
| Molecular Formula | C21H24N2O3 |
| Exact Mass | 352.178693 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 26zMACBu12X |
|---|---|
| Name | Raucaffrinoline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24N2O3 |
| InChI | InChI=1S/C21H24N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,10,12-13,16-18,20,24H,7-9H2,1-2H3/t10-,12-,13-,16-,17-,18-,20+,21+/m0/s1 |
| InChIKey | XIMPCXFLDSKALH-AFXVYWMKSA-N |
| Molecular Weight | 352.434 g/mol |
| SMILES | OC[C@@]1([C@]2([C@@]3([C@]([C@]45C(=Nc6c5cccc6)[C@](C2)(N([C@]3(C4)[H])[C@]1(C)[H])[H])(OC(=O)C)[H])[H])[H])[H] |
| SPLASH | splash10-0uk9-0459000000-1d5e6fce0ed7023e9d0a |
| Source of Spectrum | F7-12-369-60 |
| Wiley ID | 1556792 |