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DOC-M (O-demethyl-) AC
SpectraBase Compound ID LPnM0FqJSnk
InChI InChI=1S/C12H16ClNO3/c1-7(14)4-9-5-12(17-8(2)15)10(13)6-11(9)16-3/h5-7H,4,14H2,1-3H3
InChIKey QLPUJFUVYNEEAR-UHFFFAOYSA-N
Mol Weight 257.72 g/mol
Molecular Formula C12H16ClNO3
Exact Mass 257.081871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CB5KumPku
Name DOC-M (O-demethyl-) AC
Classification Designer drug
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 257.081871076 u
Formula C12H16NO3Cl
InChI InChI=1S/C12H16ClNO3/c1-7(14)4-9-5-12(17-8(2)15)10(13)6-11(9)16-3/h5-7H,4,14H2,1-3H3
InChIKey QLPUJFUVYNEEAR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 257.717 g/mol
SMILES c1(cc(c(cc1CC(N)C)OC(C)=O)Cl)OC
SPLASH splash10-014i-1490000000-f7973561da89286c934c
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
Synonyms 4-Chloro-2,5-dimethoxy-amfetamine-M (O-demethyl-) AC
Technique GC/MS
Wiley ID MMPW6e_7854