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2-ACETOXY-1,3-DIMETHOXY-5-(2-PROPENYL)-BENZENE
SpectraBase Compound ID ClP6WPagP3z
InChI InChI=1S/C13H16O4/c1-5-6-10-7-11(15-3)13(17-9(2)14)12(8-10)16-4/h5,7-8H,1,6H2,2-4H3
InChIKey FDYLVSINANJYBC-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjeEGNR6O
Name Elemicin-M (demethyl-) isomer-2 AC
Classification Ingredient of nutmeg
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Exact Mass 236.104858991 u
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-5-6-10-7-11(15-3)13(17-9(2)14)12(8-10)16-4/h5,7-8H,1,6H2,2-4H3
InChIKey FDYLVSINANJYBC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 236.267 g/mol
SMILES c1(OC)cc(cc(c1OC(=O)C)OC)CC=C
SPLASH splash10-0006-1900000000-e4ef3ccc33893dc9c21d
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: U+UHYAC
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_7141