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5-fluoro 7-QUPAIC
SpectraBase Compound ID LKGAets01z3
InChI InChI=1S/C22H20FN3O2/c23-11-2-1-3-14-26-15-18(17-9-6-13-25-21(17)26)22(27)28-19-10-4-7-16-8-5-12-24-20(16)19/h4-10,12-13,15H,1-3,11,14H2
InChIKey CUGIQDZEJKPBDW-UHFFFAOYSA-N
Mol Weight 377.42 g/mol
Molecular Formula C22H20FN3O2
Exact Mass 377.153955 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2yX8Ix6ym5N
Name 5-Fluoro 7-QUPAIC
Source of Sample Cayman Chemical Company
Catalog Number 23011
Lot Number 0527360-2
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 C22H20FN3O2
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-(5-fluoropentyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
InChI InChI=1S/C22H20FN3O2/c23-11-2-1-3-14-26-15-18(17-9-6-13-25-21(17)26)22(27)28-19-10-4-7-16-8-5-12-24-20(16)19/h4-10,12-13,15H,1-3,11,14H2
InChIKey CUGIQDZEJKPBDW-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 377.419 g/mol
Purity >=98%
Resolution 8 cm-1
Source of Spectrum Forensic Spectral Research
Synonyms 5-Fluoro NPB-22-7N; 5-Fluoro QUP7AIC
Technique Vapor Phase
UV - Neutral Conditions UVmax (nm): 231, 251, 292