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Elemicin-M (dihydroxy-) 2AC
SpectraBase Compound ID DhEz3ZDw2zy
InChI InChI=1S/C16H22O7/c1-10(17)22-9-13(23-11(2)18)6-12-7-14(19-3)16(21-5)15(8-12)20-4/h7-8,13H,6,9H2,1-5H3
InChIKey LBPDLRAHOFZVQL-UHFFFAOYSA-N
Mol Weight 326.35 g/mol
Molecular Formula C16H22O7
Exact Mass 326.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kIOvJzIu
Name Elemicin-M (dihydroxy-) 2AC
Classification Ingredient of nutmeg
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Exact Mass 326.136553041 u
Formula C16H22O7
InChI InChI=1S/C16H22O7/c1-10(17)22-9-13(23-11(2)18)6-12-7-14(19-3)16(21-5)15(8-12)20-4/h7-8,13H,6,9H2,1-5H3
InChIKey LBPDLRAHOFZVQL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 326.345 g/mol
SMILES c1(cc(CC(COC(C)=O)OC(C)=O)cc(OC)c1OC)OC
SPLASH splash10-014i-1891000000-59b4f7d811d15c40d5e2
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_7137