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AB-PINACA N-(2-fluoropentyl) isomer
SpectraBase Compound ID HlD1jeEJBOK
InChI InChI=1S/C18H25FN4O2/c1-4-7-12(19)10-23-14-9-6-5-8-13(14)16(22-23)18(25)21-15(11(2)3)17(20)24/h5-6,8-9,11-12,15H,4,7,10H2,1-3H3,(H2,20,24)(H,21,25)/t12?,15-/m1/s1
InChIKey VKIBZLGSWZHFJD-WPZCJLIBSA-N
Mol Weight 348.42 g/mol
Molecular Formula C18H25FN4O2
Exact Mass 348.196154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JC5atyaFyh4
Name AB-PINACA N-(2-fluoropentyl) isomer
Alternate Name(s) 2-Fluoro-AB-PINACA N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(2-fluoropentyl)-1H-indazole-carboxamide 2F-AB-PINACA N-((R)-1-amino-3-methyl-1-oxobutan-2-yl)-1-(2-fluoropentyl)-1H-indazole-3-carboxamide
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Formula C18H25FN4O2
InChI InChI=1S/C18H25FN4O2/c1-4-7-12(19)10-23-14-9-6-5-8-13(14)16(22-23)18(25)21-15(11(2)3)17(20)24/h5-6,8-9,11-12,15H,4,7,10H2,1-3H3,(H2,20,24)(H,21,25)/t12?,15-/m1/s1
InChIKey VKIBZLGSWZHFJD-WPZCJLIBSA-N
Molecular Weight 348.422 g/mol
SMILES N(C(=O)c1n[n](c2ccccc12)CC(CCC)F)[C@@](C(=O)N)(C(C)C)[H]
SPLASH splash10-001i-3494000000-1a31cfa776309c082a9a
Source of Spectrum SWG-33-3546-0
Wiley ID 1810336