| SpectraBase Compound ID | 3IYOk2HwJlc |
|---|---|
| InChI | InChI=1S/C24H32N2O4/c1-14(27)29-22-12-17-11-19(24(22,5)30-15(2)28)21(26-23(17,3)4)10-16-13-25-20-9-7-6-8-18(16)20/h6-9,13,17,19,21-22,25-26H,10-12H2,1-5H3/t17-,19-,21-,22-,24+/m1/s1 |
| InChIKey | WKOKQMSSCXFPNZ-LCCULQQWSA-N |
| Mol Weight | 412.5 g/mol |
| Molecular Formula | C24H32N2O4 |
| Exact Mass | 412.236208 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2dMmr2SsX63 |
|---|---|
| Name | 11,16-Diacetoxhobartine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H32N2O4 |
| InChI | InChI=1S/C24H32N2O4/c1-14(27)29-22-12-17-11-19(24(22,5)30-15(2)28)21(26-23(17,3)4)10-16-13-25-20-9-7-6-8-18(16)20/h6-9,13,17,19,21-22,25-26H,10-12H2,1-5H3/t17-,19-,21-,22-,24+/m1/s1 |
| InChIKey | WKOKQMSSCXFPNZ-LCCULQQWSA-N |
| Molecular Weight | 412.530 g/mol |
| SMILES | N1C([C@]2(C[C@]([C@]([C@@]([C@]1(Cc1c[nH]c3c1cccc3)[H])(C2)[H])(OC(=O)C)C)(OC(=O)C)[H])[H])(C)C |
| SPLASH | splash10-001i-0690000000-4615153f35f8269f3f80 |
| Source of Spectrum | X2-53-716-4 |
| Wiley ID | 1603615 |