| SpectraBase Compound ID | IDnpGGBZr5K |
|---|---|
| InChI | InChI=1S/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/b13-3+/t16-,19-/m0/s1 |
| InChIKey | NTVLUSJWJRSPSM-AHHXMMTISA-N |
| Mol Weight | 350.42 g/mol |
| Molecular Formula | C21H22N2O3 |
| Exact Mass | 350.163043 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7JbspCcVa0w |
|---|---|
| Name | (2S,12bS)-2-[(Z)-1-formylprop-1-enyl]-1,2,6,7,12,12b-hexahydropyrido[2,1-a]$b-carboline-3-carboxylic acid methyl ester |
| Alternate Name(s) | Isovallesia-chotamine (2S,12bS)-2-[(Z)-1-oxobut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylic acid methyl ester Isovallesiachotamine Methyl (2S,12bS)-2-[(Z)-1-formylprop-1-enyl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate Methyl (2S,12bS)-2-[(Z)-1-oxobut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate Methyl (2S,12bS)-2-[(Z)-1-oxidanylidenebut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H22N2O3 |
| InChI | InChI=1S/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/b13-3+/t16-,19-/m0/s1 |
| InChIKey | NTVLUSJWJRSPSM-AHHXMMTISA-N |
| Molecular Weight | 350.418 g/mol |
| SMILES | [nH]1c2ccccc2c2c1[C@]1(N(CC2)C=C([C@@](C1)(\C(=C\C)C=O)[H])C(=O)OC)[H] |
| SPLASH | splash10-0hb9-0194000000-08221dcd31ef3ee12bcf |
| Source of Spectrum | X2-47-388-1 |
| Wiley ID | 1601406 |