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Mesembrenone (7-delta)
SpectraBase Compound ID 8oNoCYIoLZs
InChI InChI=1S/C17H19NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10-11H,8-9H2,1-3H3
InChIKey ZQCUVJCFAPGXBI-UHFFFAOYSA-N
Mol Weight 285.34 g/mol
Molecular Formula C17H19NO3
Exact Mass 285.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FswmBP5Hfms
Name Mesembrenone (7-delta)
Classification Alkaloid
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Exact Mass 285.136493473 u
Formula C17H19NO3
InChI InChI=1S/C17H19NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10-11H,8-9H2,1-3H3
InChIKey ZQCUVJCFAPGXBI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 285.343 g/mol
SMILES C1=C2C(c3cc(c(cc3)OC)OC)(C=CC1=O)CCN2C
SPLASH splash10-000l-1490000000-3f9c202bad15e562bda1
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_8993