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25I-NB3B TMS
SpectraBase Compound ID JbLmkat8v9n
InChI InChI=1S/C20H27BrINO2Si/c1-24-19-13-18(22)20(25-2)12-16(19)9-10-23(26(3,4)5)14-15-7-6-8-17(21)11-15/h6-8,11-13H,9-10,14H2,1-5H3
InChIKey XCFKRTDYFFMPCD-UHFFFAOYSA-N
Mol Weight 548.33 g/mol
Molecular Formula C20H27BrINO2Si
Exact Mass 547.003914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVAlSlSikOl
Name 25I-NB3B TMS
Classification Designer drug
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Exact Mass 547.003913646 u
Formula C20H27NO2BrISi
InChI InChI=1S/C20H27BrINO2Si/c1-24-19-13-18(22)20(25-2)12-16(19)9-10-23(26(3,4)5)14-15-7-6-8-17(21)11-15/h6-8,11-13H,9-10,14H2,1-5H3
InChIKey XCFKRTDYFFMPCD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 548.334 g/mol
SMILES c1c(OC)c(cc(OC)c1I)CCN(Cc1cc(ccc1)Br)[Si](C)(C)C
SPLASH splash10-00di-3390000000-e90f9caa2db32a5e6e77
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_9762