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Demethylmesembranol isomer-1    @
SpectraBase Compound ID KeQwa9HTn4U
InChI InChI=1S/C16H23NO3/c1-17-8-7-16(6-5-12(18)10-15(16)17)11-3-4-14(20-2)13(19)9-11/h3-4,9,12,15,18-19H,5-8,10H2,1-2H3
InChIKey WFVACGSSNWRZMF-UHFFFAOYSA-N
Mol Weight 277.36 g/mol
Molecular Formula C16H23NO3
Exact Mass 277.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62abvtRS1JQ
Name Demethylmesembranol isomer-2 @
Classification Alkaloid
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Exact Mass 277.167793602 u
Formula C16H23NO3
InChI InChI=1S/C16H23NO3/c1-17-8-7-16(6-5-12(18)10-15(16)17)11-3-4-14(20-2)13(19)9-11/h3-4,9,12,15,18-19H,5-8,10H2,1-2H3
InChIKey WFVACGSSNWRZMF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 277.364 g/mol
SMILES C1C2N(C)CCC2(c2cc(c(cc2)OC)O)CCC1O
SPLASH splash10-056r-5690000000-cfd2cb5406bf194d7ba9
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
Synonyms Mesembrine-M (demethyl-dihydro-) isomer-2
Technique GC/MS
Wiley ID MMPW6e_8999