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2C-I-M (O-demethyl-) isomer 2 2TFA
SpectraBase Compound ID 36sKDVLLVgN
InChI InChI=1S/C13H10F6INO4/c1-24-9-4-6(2-3-21-10(22)12(14,15)16)8(5-7(9)20)25-11(23)13(17,18)19/h4-5H,2-3H2,1H3,(H,21,22)
InChIKey YIXSPWCGPBEFSU-UHFFFAOYSA-N
Mol Weight 485.12 g/mol
Molecular Formula C13H10F6INO4
Exact Mass 484.955872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DcGV8S2gC
Name 2C-I-M (O-demethyl-) isomer 2 2TFA
Classification Designer drug
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 484.955871780 u
Formula C13H10NO4F6I
InChI InChI=1S/C13H10F6INO4/c1-24-9-4-6(2-3-21-10(22)12(14,15)16)8(5-7(9)20)25-11(23)13(17,18)19/h4-5H,2-3H2,1H3,(H,21,22)
InChIKey YIXSPWCGPBEFSU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 485.121 g/mol
SMILES c1(c(cc(OC(C(F)(F)F)=O)c(CCNC(=O)C(F)(F)F)c1)I)OC
SPLASH splash10-00di-3339000000-2aeb1f1b9ada95b89ec4
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 2TFA
Technique GC/MS
Wiley ID MMPW6e_6973