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2C-B-FLY-NBOMe artifact (-4H)
SpectraBase Compound ID 6s0b3K4umnZ
InChI InChI=1S/C20H18BrNO3/c1-23-17-5-3-2-4-13(17)12-22-9-6-14-15-7-10-25-20(15)18(21)16-8-11-24-19(14)16/h2-5,7-8,10-11,22H,6,9,12H2,1H3
InChIKey LCDILTHFEKYSGE-UHFFFAOYSA-N
Mol Weight 400.27 g/mol
Molecular Formula C20H18BrNO3
Exact Mass 399.047006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hujsbno990J
Name 2C-B-FLY-NBOMe artifact (-4H)
Classification Designer drug
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Exact Mass 399.047006441 u
Formula C20H18NO3Br
InChI InChI=1S/C20H18BrNO3/c1-23-17-5-3-2-4-13(17)12-22-9-6-14-15-7-10-25-20(15)18(21)16-8-11-24-19(14)16/h2-5,7-8,10-11,22H,6,9,12H2,1H3
InChIKey LCDILTHFEKYSGE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 400.272 g/mol
SMILES c1cccc(CNCCc2c3c(c(c4c2cco4)Br)cco3)c1OC
SPLASH splash10-0fk9-2910000000-ed089697c193c2c97db7
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_10822