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AB-PINACA N-(4-fluoropentyl) isomer

View entire compound with spectra: 1 MS (GC)

AB-PINACA N-(4-fluoropentyl) isomer
SpectraBase Compound ID LoXBKGLjzCI
InChI InChI=1S/C18H25FN4O2/c1-11(2)15(17(20)24)21-18(25)16-13-8-4-5-9-14(13)23(22-16)10-6-7-12(3)19/h4-5,8-9,11-12,15H,6-7,10H2,1-3H3,(H2,20,24)(H,21,25)/t12?,15-/m1/s1
InChIKey KSBISSAWUAIQIT-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 rlYveNKHZS
Name AB-PINACA N-(4-fluoropentyl) isomer
Alternate Name(s) 4-Fluoro-AB-PINACA N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluoropentyl)-1H-indazole-3-carboxamide 4F-AB-PINACA N-((R)-1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluoropentyl)-1H-indazole-3-carboxamide
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Formula C18H25FN4O2
InChI InChI=1S/C18H25FN4O2/c1-11(2)15(17(20)24)21-18(25)16-13-8-4-5-9-14(13)23(22-16)10-6-7-12(3)19/h4-5,8-9,11-12,15H,6-7,10H2,1-3H3,(H2,20,24)(H,21,25)/t12?,15-/m1/s1
InChIKey KSBISSAWUAIQIT-WPZCJLIBSA-N
Molecular Weight 348.422 g/mol
SMILES N(C(=O)c1n[n](c2ccccc12)CCCC(C)F)[C@@](C(=O)N)(C(C)C)[H]
SPLASH splash10-0f89-4694000000-1094cc497100604358b5
Source of Spectrum SWG-33-3545-0
Wiley ID 1810335