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25I-NB4B AC
SpectraBase Compound ID J2eYLWb8ewo
InChI InChI=1S/C19H21BrINO3/c1-13(23)22(12-14-4-6-16(20)7-5-14)9-8-15-10-19(25-3)17(21)11-18(15)24-2/h4-7,10-11H,8-9,12H2,1-3H3
InChIKey JETGIHZLGWCNIS-UHFFFAOYSA-N
Mol Weight 518.19 g/mol
Molecular Formula C19H21BrINO3
Exact Mass 516.974952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2i7QFUzqi
Name 25I-NB4B AC
Classification Designer drug
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Exact Mass 516.974951537 u
Formula C19H21NO3BrI
InChI InChI=1S/C19H21BrINO3/c1-13(23)22(12-14-4-6-16(20)7-5-14)9-8-15-10-19(25-3)17(21)11-18(15)24-2/h4-7,10-11H,8-9,12H2,1-3H3
InChIKey JETGIHZLGWCNIS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 518.189 g/mol
SMILES c1c(OC)c(CCN(Cc2ccc(cc2)Br)C(=O)C)cc(OC)c1I
SPLASH splash10-0006-3790000000-e1ec16eb4e18cab30e38
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_9742