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25I-NB4B ME
SpectraBase Compound ID 8qU3byRBb3c
InChI InChI=1S/C18H21BrINO2/c1-21(12-13-4-6-15(19)7-5-13)9-8-14-10-18(23-3)16(20)11-17(14)22-2/h4-7,10-11H,8-9,12H2,1-3H3
InChIKey OHSFWBFCTXDKSO-UHFFFAOYSA-N
Mol Weight 490.18 g/mol
Molecular Formula C18H21BrINO2
Exact Mass 488.980037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8SLrdcPvJ8
Name 25I-NB4B ME
Classification Designer drug
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Exact Mass 488.980036918 u
Formula C18H21NO2BrI
InChI InChI=1S/C18H21BrINO2/c1-21(12-13-4-6-15(19)7-5-13)9-8-14-10-18(23-3)16(20)11-17(14)22-2/h4-7,10-11H,8-9,12H2,1-3H3
InChIKey OHSFWBFCTXDKSO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 490.179 g/mol
SMILES c1c(c(CCN(Cc2ccc(cc2)Br)C)cc(OC)c1I)OC
SPLASH splash10-03di-1690000000-8f8643c7da65b429fb95
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_9746