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MESEMBRENONE;IMPURITY
SpectraBase Compound ID 4Ki37PKWpEw
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/h4-7,10,16H,8-9,11H2,1-3H3
InChIKey HDNHBCSWFYFPAN-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 7Fcqk9sELEw
Name Mesembrenone
Classification Alkaloid Drug of abuse
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
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/h4-7,10,16H,8-9,11H2,1-3H3
InChIKey HDNHBCSWFYFPAN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 287.359 g/mol
SMILES C1=CC(CC2C1(CCN2C)c1cc(c(cc1)OC)OC)=O
SPLASH splash10-00di-9550000000-6821d65661fa2149a727
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_8014