| SpectraBase Compound ID | l4dBacLY5t |
|---|---|
| InChI | InChI=1S/C21H21NO4/c1-12(23)25-18-8-7-15-11-17-19-14(9-10-22(17)3)5-4-6-16(19)20(15)21(18)26-13(2)24/h4-8,17H,9-11H2,1-3H3 |
| InChIKey | PJAGGJPKGNYFJH-UHFFFAOYSA-N |
| Mol Weight | 351.4 g/mol |
| Molecular Formula | C21H21NO4 |
| Exact Mass | 351.147058 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 804b9MJEPlF |
|---|---|
| Name | Diacetylapomorphine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H21NO4 |
| InChI | InChI=1S/C21H21NO4/c1-12(23)25-18-8-7-15-11-17-19-14(9-10-22(17)3)5-4-6-16(19)20(15)21(18)26-13(2)24/h4-8,17H,9-11H2,1-3H3 |
| InChIKey | PJAGGJPKGNYFJH-UHFFFAOYSA-N |
| Molecular Weight | 351.402 g/mol |
| SMILES | C12c3c(cccc3CCN1C)-c1c(C2)ccc(OC(=O)C)c1OC(=O)C |
| SPLASH | splash10-0ldi-0198000000-1bcbc681a6b6cad1801d |
| Source of Spectrum | K-2002-1714-0 |
| Synonyms | Acetic acid (11-acetyloxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10-yl) ester (11-acetyloxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10-yl) acetate (11-acetoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10-yl) acetate (11-acetyloxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10-yl) ethanoate |
| Wiley ID | 1581447 |