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Mesembrine (7-delta)
SpectraBase Compound ID 1JJ7AlE1mai
InChI InChI=1S/C17H21NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10-11H,6-9H2,1-3H3
InChIKey XPUOZJJNPJXFTD-UHFFFAOYSA-N
Mol Weight 287.36 g/mol
Molecular Formula C17H21NO3
Exact Mass 287.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MiZMxtWAS
Name Mesembrine (7-delta)
Classification Alkaloid
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Exact Mass 287.152143537 u
Formula C17H21NO3
InChI InChI=1S/C17H21NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10-11H,6-9H2,1-3H3
InChIKey XPUOZJJNPJXFTD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 287.359 g/mol
SMILES C1=C2C(c3cc(c(cc3)OC)OC)(CCC1=O)CCN2C
SPLASH splash10-052u-1390000000-1e601ead3cf57ebbadae
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.
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_8992