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25I-NB4OMe TFA
SpectraBase Compound ID 816CsR0djQP
InChI InChI=1S/C20H21F3INO4/c1-27-15-6-4-13(5-7-15)12-25(19(26)20(21,22)23)9-8-14-10-18(29-3)16(24)11-17(14)28-2/h4-7,10-11H,8-9,12H2,1-3H3
InChIKey DYBYQZFDRUBACC-UHFFFAOYSA-N
Mol Weight 523.29 g/mol
Molecular Formula C20H21F3INO4
Exact Mass 523.046738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GrOHnTmRk
Name 25I-NB4OMe TFA
Classification Designer drug
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Exact Mass 523.046737645 u
Formula C20H21NO4IF3
InChI InChI=1S/C20H21F3INO4/c1-27-15-6-4-13(5-7-15)12-25(19(26)20(21,22)23)9-8-14-10-18(29-3)16(24)11-17(14)28-2/h4-7,10-11H,8-9,12H2,1-3H3
InChIKey DYBYQZFDRUBACC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 523.291 g/mol
SMILES c1c(OC)c(cc(OC)c1I)CCN(Cc1ccc(cc1)OC)C(=O)C(F)(F)F
SPLASH splash10-006x-2490000000-ce187d794e7b0d38ac05
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
Technique GC/MS
Wiley ID MMPW6e_9757