![acetic acid [(1R)-1-[(12bS)-5-oxido-1,4,6,7,12,12b-hexahydropyrido[6,1-a]$b-carbolin-5-ium-3-yl]ethyl] ester](/api/spectrum/7doPoQ0xGZB/structure.png?h=300&w=458 "acetic acid [(1R)-1-[(12bS)-5-oxido-1,4,6,7,12,12b-hexahydropyrido[6,1-a]$b-carbolin-5-ium-3-yl]ethyl] ester")
| SpectraBase Compound ID | 4GQVzXkDcWr |
|---|---|
| InChI | InChI=1S/C19H22N2O3/c1-12(24-13(2)22)14-7-8-18-19-16(9-10-21(18,23)11-14)15-5-3-4-6-17(15)20-19/h3-7,12,18,20H,8-11H2,1-2H3/t12-,18+,21?/m1/s1 |
| InChIKey | OHTRAYALCWCBNZ-ARBCDQEWSA-N |
| Mol Weight | 326.4 g/mol |
| Molecular Formula | C19H22N2O3 |
| Exact Mass | 326.163043 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7doPoQ0xGZB |
|---|---|
| Name | 19-Acetoxy-5,6-dihydroflavopereirine trans-N(b)-oxide |
| Alternate Name(s) | (1R)-1-[(12bS)-5-oxido-1,4,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-3-yl]ethyl acetate Acetic acid (R)-1-((S)-5-oxy-1,4,6,7,12,12b-hexahydro-indolo[2,3-a]quinolizin-3-yl)-ethyl ester acetic acid [(1R)-1-[(12bS)-5-oxido-1,4,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-5-ium-3-yl]ethyl] ester [(1R)-1-[(12bS)-5-oxido-1,4,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-5-ium-3-yl]ethyl] acetate [(1R)-1-[(12bS)-5-oxidanidyl-1,4,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-5-ium-3-yl]ethyl] ethanoate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H22N2O3 |
| InChI | InChI=1S/C19H22N2O3/c1-12(24-13(2)22)14-7-8-18-19-16(9-10-21(18,23)11-14)15-5-3-4-6-17(15)20-19/h3-7,12,18,20H,8-11H2,1-2H3/t12-,18+,21?/m1/s1 |
| InChIKey | OHTRAYALCWCBNZ-ARBCDQEWSA-N |
| Molecular Weight | 326.396 g/mol |
| SMILES | [nH]1c2ccccc2c2c1[C@]1([N+](CC2)(CC(=CC1)[C@](OC(=O)C)(C)[H])[O-])[H] |
| SPLASH | splash10-0udi-0090000000-ff296712b7d3b78a9d0c |
| Source of Spectrum | H1-43-1369-6 |
| Wiley ID | 757942 |