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AB-PINACA N-(3-fluoropentyl) isomer
SpectraBase Compound ID JorfuFEW8f
InChI InChI=1S/C18H25FN4O2/c1-4-12(19)9-10-23-14-8-6-5-7-13(14)16(22-23)18(25)21-15(11(2)3)17(20)24/h5-8,11-12,15H,4,9-10H2,1-3H3,(H2,20,24)(H,21,25)/t12?,15-/m1/s1
InChIKey SNFDFYWXKBFWTO-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 KWNqMEoTDwE
Name AB-PINACA N-(3-fluoropentyl) isomer
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Formula C18H25FN4O2
InChI InChI=1S/C18H25FN4O2/c1-4-12(19)9-10-23-14-8-6-5-7-13(14)16(22-23)18(25)21-15(11(2)3)17(20)24/h5-8,11-12,15H,4,9-10H2,1-3H3,(H2,20,24)(H,21,25)/t12?,15-/m1/s1
InChIKey SNFDFYWXKBFWTO-WPZCJLIBSA-N
Molecular Weight 348.422 g/mol
SMILES N(C(c1c2ccccc2[n](n1)CCC(CC)F)=O)[C@@](C(N)=O)(C(C)C)[H]
SPLASH splash10-001i-3493000000-86ab08307f590526ee99
Source of Spectrum SWG-33-4162-0
Synonyms 3-Fluoro-AB-PINACA N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(3-fluoropentyl)-1H-indazole-carboxamide 3F-AB-PINACA N-((R)-1-amino-3-methyl-1-oxobutan-2-yl)-1-(3-fluoropentyl)-1H-indazole-3-carboxamide
Wiley ID 1810806