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Diacetylapomorphine
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)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYGckkJ5ZG1
Name Apomorphine 2AC
Classification Emetic
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Exact Mass 351.147058156 u
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
Ionization Type Electron Ionization (EI)
Molecular Weight 351.402 g/mol
SMILES c12C3Cc4ccc(c(OC(C)=O)c4-c2cccc1CCN3C)OC(=O)C
SPLASH splash10-0uxr-0279000000-f17e28e71164b7a5a3ca
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_2286