For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
DOI-M (O-desmethyl-) isomer-1 2AC
SpectraBase Compound ID B5lZJyJp8Wp
InChI InChI=1S/C14H18INO4/c1-8(16-9(2)17)5-11-6-14(19-4)12(15)7-13(11)20-10(3)18/h6-8H,5H2,1-4H3,(H,16,17)
InChIKey DKRSAPQWTIEOER-UHFFFAOYSA-N
Mol Weight 391.21 g/mol
Molecular Formula C14H18INO4
Exact Mass 391.028053 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FpSHeQdYO
Name DOI-M (O-desmethyl-) isomer-1 2AC
Classification Designer drug
Comments Structure comment: Wiggly bond = unknown position of substituent
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 391.028053060 u
Formula C14H18NO4I
InChI InChI=1S/C14H18INO4/c1-8(16-9(2)17)5-11-6-14(19-4)12(15)7-13(11)20-10(3)18/h6-8H,5H2,1-4H3,(H,16,17)
InChIKey DKRSAPQWTIEOER-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 391.205 g/mol
SMILES c1(cc(CC(NC(=O)C)C)c(OC(=O)C)cc1I)OC
SPLASH splash10-0006-5393000000-37650df2c04276d479a2
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
Synonyms DOI-M (O-demethyl-) isomer-1 2AC 4-Iodo-2,5-dimethoxy-amfetamine-M (O-demethyl-) isomer-1 2AC
Technique GC/MS
Wiley ID MMPW6e_7180