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5-Fluoro-AMB metabolite 7
SpectraBase Compound ID DmLtBzspu1l
InChI InChI=1S/C18H24FN3O3/c1-12(2)15(18(24)25)20-17(23)16-13-8-4-5-9-14(13)22(21-16)11-7-3-6-10-19/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H,20,23)(H,24,25)/t15-/m1/s1
InChIKey FGTPKIQXNMGJLF-OAHLLOKOSA-N
Mol Weight 349.41 g/mol
Molecular Formula C18H24FN3O3
Exact Mass 349.18017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38EeS1JbK7K
Name 5-Fluoro-AMB metabolite 7
Alternate Name(s) (1-(5-Fluoropentyl)-1H-indazole-3-carbonyl)-L-valine 5F-AMB metabolite 7 (1-(5-fluoropentyl)-1H-indazole-3-carbonyl)-D-valine
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Formula C18H24FN3O3
InChI InChI=1S/C18H24FN3O3/c1-12(2)15(18(24)25)20-17(23)16-13-8-4-5-9-14(13)22(21-16)11-7-3-6-10-19/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H,20,23)(H,24,25)/t15-/m1/s1
InChIKey FGTPKIQXNMGJLF-OAHLLOKOSA-N
Molecular Weight 349.406 g/mol
SMILES N(C(c1c2ccccc2[n](n1)CCCCCF)=O)[C@@](C(=O)O)(C(C)C)[H]
SPLASH splash10-001j-5952000000-7f670c23b820c5c7a987
Source of Spectrum SWG-33-4389-0
Wiley ID 1811002