| SpectraBase Compound ID | F9lMzcQvqcU |
|---|---|
| InChI | InChI=1S/C21H26N2O2/c1-3-16-14-23(15(2)24)13-11-17(16)8-9-21(25)19-10-12-22-20-7-5-4-6-18(19)20/h3-7,10,12,16-17,21,25H,1,8-9,11,13-14H2,2H3/t16-,17+,21+/m0/s1 |
| InChIKey | MGPFTVVETKCWEH-CSODHUTKSA-N |
| Mol Weight | 338.45 g/mol |
| Molecular Formula | C21H26N2O2 |
| Exact Mass | 338.199428 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4dMFhHGiI4 |
|---|---|
| Name | N-Acetylcinchonicinol |
| Appearance | amorphous |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26N2O2 |
| InChI | InChI=1S/C21H26N2O2/c1-3-16-14-23(15(2)24)13-11-17(16)8-9-21(25)19-10-12-22-20-7-5-4-6-18(19)20/h3-7,10,12,16-17,21,25H,1,8-9,11,13-14H2,2H3/t16-,17+,21+/m0/s1 |
| InChIKey | MGPFTVVETKCWEH-CSODHUTKSA-N |
| Instrument Name | Micromass Autospec |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np040053k |
| Molecular Weight | 338.451 g/mol |
| Optical Rotation | [a]D25 = +111.5 (c = 0.1, EtOH) |
| Reported Formula | C21H26N2O2 |
| SMILES | O[C@@](c1c2c(ncc1)cccc2)(CC[C@]1([C@](CN(CC1)C(C)=O)(C=C)[H])[H])[H] |
| SPLASH | splash10-0080-0509000000-6839c7f2b20627df9823 |
| Source of Spectrum | G4-67-1670-5 |
| Wiley ID | 1881543 |