| SpectraBase Compound ID | 9KiLSJgST7L |
|---|---|
| InChI | InChI=1S/C15H23NO2/c1-3-6-15(17)18-12-10-13(2)8-9-14-7-4-5-11-16-14/h3,10H,1,4-9,11-12H2,2H3/b13-10+ |
| InChIKey | IVAICSXGDIPJLL-JLHYYAGUSA-N |
| Mol Weight | 249.35 g/mol |
| Molecular Formula | C15H23NO2 |
| Exact Mass | 249.172879 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | VqsKzRXdsI |
|---|---|
| Name | Polonicumtoxin A |
| Alternate Name(s) | (2E)-3-methyl-5-(3,4,5,6-tetrahydro-2-pyridinyl)-2-pentenyl 3-butenoate 3-butenoic acid[(E)-3-methyl-5-(2,3,4,5-tetrahydropyridin-6-yl)pent-2-enyl]ester but-3-enoic acid[(E)-3-methyl-5-(2,3,4,5-tetrahydropyridin-6-yl)pent-2-enyl]ester [(E)-3-methyl-5-(2,3,4,5-tetrahydropyridin-6-yl)pent-2-enyl]but-3-enoate 3-butenoic acid [(E)-3-methyl-5-(2,3,4,5-tetrahydropyridin-6-yl)pent-2-enyl] ester [(E)-3-methyl-5-(2,3,4,5-tetrahydropyridin-6-yl)pent-2-enyl] but-3-enoate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H23NO2 |
| InChI | InChI=1S/C15H23NO2/c1-3-6-15(17)18-12-10-13(2)8-9-14-7-4-5-11-16-14/h3,10H,1,4-9,11-12H2,2H3/b13-10+ |
| InChIKey | IVAICSXGDIPJLL-JLHYYAGUSA-N |
| Molecular Weight | 249.354 g/mol |
| SMILES | C1(=NCCCC1)CC\C(=C\COC(=O)CC=C)C |
| SPLASH | splash10-03di-0900000000-6da64bd3a9e986d58761 |
| Source of Spectrum | H1-48-92-1 |
| Wiley ID | 816250 |