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5-Fluoro NPB-22

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, and 4 MS (GC)

5-Fluoro NPB-22
SpectraBase Compound ID 9UcFWPB3NUw
InChI InChI=1S/C22H20FN3O2/c23-13-4-1-5-15-26-18-11-3-2-10-17(18)21(25-26)22(27)28-19-12-6-8-16-9-7-14-24-20(16)19/h2-3,6-12,14H,1,4-5,13,15H2
InChIKey DZNDVBLSHUYZLI-UHFFFAOYSA-N
Mol Weight 377.42 g/mol
Molecular Formula C22H20FN3O2
Exact Mass 377.153955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5U2GXEfMahT
Name 5-Fluoro-NPB-22
Alternate Name(s) 1-(5-Fluoropentyl)-8-quinolinyl ester-1H-indazole-3-carboxylic acid 5F-NPB-22 quinolin-8-yl 1-(5-fluoropentyl)-1H-indazole-3-carboxylate
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Formula C22H20FN3O2
InChI InChI=1S/C22H20FN3O2/c23-13-4-1-5-15-26-18-11-3-2-10-17(18)21(25-26)22(27)28-19-12-6-8-16-9-7-14-24-20(16)19/h2-3,6-12,14H,1,4-5,13,15H2
InChIKey DZNDVBLSHUYZLI-UHFFFAOYSA-N
Molecular Weight 377.419 g/mol
SMILES c1(c2c(ccc1)cccn2)OC(c1n[n](c2c1cccc2)CCCCCF)=O
SPLASH splash10-001i-4981000000-d9a85001d17845ec5274
Source of Spectrum SWG-33-4240-0
Wiley ID 1810862