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Mesembrine-M (demethyl-) AC
SpectraBase Compound ID 2fK17E9CJqQ
InChI InChI=1S/C18H23NO4/c1-12(20)23-16-10-13(4-5-15(16)22-3)18-7-6-14(21)11-17(18)19(2)9-8-18/h4-5,10,17H,6-9,11H2,1-3H3
InChIKey DKLSJFVWYLQCNM-UHFFFAOYSA-N
Mol Weight 317.39 g/mol
Molecular Formula C18H23NO4
Exact Mass 317.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MtF4GYUvA
Name Mesembrine-M (demethyl-) AC
Classification Alkaloid
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Exact Mass 317.162708221 u
Formula C18H23NO4
InChI InChI=1S/C18H23NO4/c1-12(20)23-16-10-13(4-5-15(16)22-3)18-7-6-14(21)11-17(18)19(2)9-8-18/h4-5,10,17H,6-9,11H2,1-3H3
InChIKey DKLSJFVWYLQCNM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 317.385 g/mol
SMILES C1C2N(C)CCC2(CCC1=O)c1ccc(c(c1)OC(=O)C)OC
SPLASH splash10-0gb9-4950000000-6fb1cbbbd63ccc753d77
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: UGLUCSPE
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_9025