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FUB-NPB-22

View entire compound with spectra: 1 NMR, 3 FTIR, 1 Raman, and 2 MS (GC)

FUB-NPB-22
SpectraBase Compound ID F2adcTDvJ8X
InChI InChI=1S/C24H16FN3O2/c25-18-12-10-16(11-13-18)15-28-20-8-2-1-7-19(20)23(27-28)24(29)30-21-9-3-5-17-6-4-14-26-22(17)21/h1-14H,15H2
InChIKey NYHGKZZRRCVGAU-UHFFFAOYSA-N
Mol Weight 397.41 g/mol
Molecular Formula C24H16FN3O2
Exact Mass 397.122655 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwCFFIb8ifC
Name FUB-NPB-22
Alternate Name(s) 5-Fluoro-NIN FUB-PB-22 indazole analogue Quinolin-8-yl-1-(4-fluorobenzyl)-1H-indazole-3-carboxylate 5F-NIN quinolin-8-yl 1-(4-fluorobenzyl)-1H-indazole-3-carboxylate
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Formula C24H16FN3O2
InChI InChI=1S/C24H16FN3O2/c25-18-12-10-16(11-13-18)15-28-20-8-2-1-7-19(20)23(27-28)24(29)30-21-9-3-5-17-6-4-14-26-22(17)21/h1-14H,15H2
InChIKey NYHGKZZRRCVGAU-UHFFFAOYSA-N
Molecular Weight 397.409 g/mol
SMILES c1(c2c(ccc1)cccn2)OC(c1n[n](c2c1cccc2)Cc1ccc(cc1)F)=O
SPLASH splash10-0pb9-2960000000-5c4e13a1f5310303ec57
Source of Spectrum SWG-33-4316-0
Wiley ID 1810933