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25B-NBOMe-M (O-demethyl-HO-) 3AC
SpectraBase Compound ID GCwguFstXL8
InChI InChI=1S/C23H26BrNO7/c1-14(26)25(13-18-6-7-19(31-15(2)27)11-21(18)29-4)9-8-17-10-23(30-5)20(24)12-22(17)32-16(3)28/h6-7,10-12H,8-9,13H2,1-5H3
InChIKey DGQVXDUMUUJIMD-UHFFFAOYSA-N
Mol Weight 508.37 g/mol
Molecular Formula C23H26BrNO7
Exact Mass 507.089265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNHju1iQlTv
Name 25B-NBOMe-M (O-demethyl-HO-) 3AC
Classification Designer drug
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 507.089265174 u
Formula C23H26NO7Br
InChI InChI=1S/C23H26BrNO7/c1-14(26)25(13-18-6-7-19(31-15(2)27)11-21(18)29-4)9-8-17-10-23(30-5)20(24)12-22(17)32-16(3)28/h6-7,10-12H,8-9,13H2,1-5H3
InChIKey DGQVXDUMUUJIMD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 508.365 g/mol
SMILES c1(CCN(Cc2c(cc(cc2)OC(C)=O)OC)C(=O)C)cc(c(cc1OC(=O)C)Br)OC
SPLASH splash10-0570-1930000000-0e757f9851c3a467d9d9
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_9390