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2C-I-M (O-demethyl-) isomer-2 TFA
SpectraBase Compound ID DlkqtSouvXm
InChI InChI=1S/C11H11F3INO3/c1-19-9-4-6(8(17)5-7(9)15)2-3-16-10(18)11(12,13)14/h4-5,17H,2-3H2,1H3,(H,16,18)
InChIKey XMHUKRBMNYNDAC-UHFFFAOYSA-N
Mol Weight 389.11 g/mol
Molecular Formula C11H11F3INO3
Exact Mass 388.973573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EviiEBqDv8e
Name 2C-I-M (O-demethyl-) isomer-2 TFA
Classification Designer drug
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 388.973572704 u
Formula C11H11NO3F3I
InChI InChI=1S/C11H11F3INO3/c1-19-9-4-6(8(17)5-7(9)15)2-3-16-10(18)11(12,13)14/h4-5,17H,2-3H2,1H3,(H,16,18)
InChIKey XMHUKRBMNYNDAC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 389.113 g/mol
SMILES c1(OC)c(cc(O)c(CCNC(=O)C(F)(F)F)c1)I
SPLASH splash10-01t9-5493000000-a451c666314384dbc5db
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 (O-demethyl-) isomer- TFA 2,5-Dimethoxy-4-iodophenethylamine-M (O-demethyl-) isomer-2 TFA
Technique GC/MS
Wiley ID MMPW6e_6977