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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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KKGPpb1cOIn
Name FUB-NPB-22
Source of Sample Cayman Chemical Company
Catalog Number 16883
Lot Number 0464270-17
Apodization Function Triangular
Carrier Gas Nitrogen (1 mL/min)
Cell Type Flow cell with gold-coated lightpipe (pyrex glass) and KBr windows
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Detector MCT wideband
Formula C24H16FN3O2
GC Column Supelco SPB-1 (1.8 m x 0.32 mm ID x 0.25 µm film thickness)
GC Oven Program 180 °C (0.30 min hold) - 285 °C (10 °C/min) and 5 min hold
IUPAC Name Quinolin-8-yl 1-(4-fluorobenzyl)-1H-indazole-3-carboxylate
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
Inlet Type Splitless
Instrument Name HP 5890 Series II / HP 5965B (GC/IRD)
Instrument Properties Gram-Schmidt vector orthogonalization number of basis vectors: 8 number of basis coadditions: 5 vector offset: 60 points vector length: 100 points
Interferogram Mode Name Symmetry
Molecular Weight 397.409 g/mol
Purity >=95%
Resolution 8 cm-1
Source of Spectrum Forensic Spectral Research
Synonyms 5-Fluoro NIN; FUB-PB-22 Indazole analog
Technique Vapor Phase
UV - Neutral Conditions UVmax (nm): 224, 300