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2C-B-FLY-NBOMe artifact (-4H) TFA
SpectraBase Compound ID EeJ86kYohni
InChI InChI=1S/C22H17BrF3NO4/c1-29-17-5-3-2-4-13(17)12-27(21(28)22(24,25)26)9-6-14-15-7-10-31-20(15)18(23)16-8-11-30-19(14)16/h2-5,7-8,10-11H,6,9,12H2,1H3
InChIKey JCIGLHRUYUQLEN-UHFFFAOYSA-N
Mol Weight 496.28 g/mol
Molecular Formula C22H17BrF3NO4
Exact Mass 495.029306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yCuGUmmzQ
Name 2C-B-FLY-NBOMe artifact (-4H) TFA
Classification Designer drug
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Exact Mass 495.029305516 u
Formula C22H17NO4BrF3
InChI InChI=1S/C22H17BrF3NO4/c1-29-17-5-3-2-4-13(17)12-27(21(28)22(24,25)26)9-6-14-15-7-10-31-20(15)18(23)16-8-11-30-19(14)16/h2-5,7-8,10-11H,6,9,12H2,1H3
InChIKey JCIGLHRUYUQLEN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 496.280 g/mol
SMILES c1(c2occc2c(c2c1cco2)CCN(C(C(F)(F)F)=O)Cc1ccccc1OC)Br
SPLASH splash10-0ir4-7790000000-41d373d049ad260570cd
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_10682