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25I-NB3OMe AC
SpectraBase Compound ID 2d7TmPmsVul
InChI InChI=1S/C20H24INO4/c1-14(23)22(13-15-6-5-7-17(10-15)24-2)9-8-16-11-20(26-4)18(21)12-19(16)25-3/h5-7,10-12H,8-9,13H2,1-4H3
InChIKey XOBIUTARSYJQSY-UHFFFAOYSA-N
Mol Weight 469.32 g/mol
Molecular Formula C20H24INO4
Exact Mass 469.075003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LmSLxxf0a
Name 25I-NB3OMe AC
Classification Designer drug
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Exact Mass 469.075003253 u
Formula C20H24NO4I
InChI InChI=1S/C20H24INO4/c1-14(23)22(13-15-6-5-7-17(10-15)24-2)9-8-16-11-20(26-4)18(21)12-19(16)25-3/h5-7,10-12H,8-9,13H2,1-4H3
InChIKey XOBIUTARSYJQSY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 469.319 g/mol
SMILES c1c(I)c(cc(c1OC)CCN(Cc1cc(ccc1)OC)C(=O)C)OC
SPLASH splash10-0006-3970000000-4647194b9ff8de364e43
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_9750