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4-fluoro MDMB-BUTINACA 3-carboxyindazole metabolite
SpectraBase Compound ID 9PTwsZmhIit
InChI InChI=1S/C12H13FN2O2/c13-7-3-4-8-15-10-6-2-1-5-9(10)11(14-15)12(16)17/h1-2,5-6H,3-4,7-8H2,(H,16,17)
InChIKey NUNURCOLPAGUIS-UHFFFAOYSA-N
Mol Weight 236.25 g/mol
Molecular Formula C12H13FN2O2
Exact Mass 236.096106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9gLcPrwFDG
Name 4-fluoro MDMB-BUTINACA 3-carboxyindazole metabolite
Catalog Number 27819
CAS Registry Number 202752-91-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13FN2O2
InChI InChI=1S/C12H13FN2O2/c13-7-3-4-8-15-10-6-2-1-5-9(10)11(14-15)12(16)17/h1-2,5-6H,3-4,7-8H2,(H,16,17)
InChIKey NUNURCOLPAGUIS-UHFFFAOYSA-N
Molecular Weight 236.246 g/mol
SMILES OC(c1n[n](c2c1cccc2)CCCCF)=O
SPLASH splash10-004i-3900000000-82c820605f1c4ec17969
Source of Spectrum CAY-2023-455-0
Wiley ID 1888420