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

*Links on SpectraBase are not permalinks.
2C-I-M isomer-2 2TFA
SpectraBase Compound ID FGss8hOZnTt
InChI InChI=1S/C13H9F6IO5/c1-23-9-4-6(2-3-24-10(21)12(14,15)16)8(5-7(9)20)25-11(22)13(17,18)19/h4-5H,2-3H2,1H3
InChIKey GKBLDAFSFWUSAO-UHFFFAOYSA-N
Mol Weight 486.1 g/mol
Molecular Formula C13H9F6IO5
Exact Mass 485.939887 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 1eGMji5wNE
Name 2C-I-M isomer-2 2TFA
Classification Designer drug
Comments Structure comment: Wiggly bond = unknown position of substituent
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 485.939887363 u
Formula C13H9O5F6I
InChI InChI=1S/C13H9F6IO5/c1-23-9-4-6(2-3-24-10(21)12(14,15)16)8(5-7(9)20)25-11(22)13(17,18)19/h4-5H,2-3H2,1H3
InChIKey GKBLDAFSFWUSAO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 486.105 g/mol
SMILES c1(c(I)cc(OC(=O)C(F)(F)F)c(CCOC(=O)C(F)(F)F)c1)OC
SPLASH splash10-00fr-2498200000-43493d56d875fb31f5d3
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: UGLUCTFA
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms 2C-I-M (deamino-HO-O-demethyl-) isomer- TFA 2,5-Dimethoxy-4-iodophenethylamine-M (deamino-HO-O-demethyl-) isomer-2 2TFA
Technique GC/MS
Wiley ID MMPW6e_6980