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5-F-THJ 018
SpectraBase Compound ID 14qZkkxuSn2
InChI InChI=1S/C22H21FN4O/c23-13-4-1-5-15-27-19-12-3-2-10-17(19)21(26-27)22(28)25-18-11-6-8-16-9-7-14-24-20(16)18/h2-3,6-12,14H,1,4-5,13,15H2,(H,25,28)
InChIKey GMRIDDSOZRLMAN-UHFFFAOYSA-N
Mol Weight 376.44 g/mol
Molecular Formula C22H21FN4O
Exact Mass 376.169939 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HYW2gBfjlQK
Name 5-Fluoro THJ
Source of Sample Cayman Chemical Company
Catalog Number 14890
Lot Number 0451504-1
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 C22H21FN4O
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 1-(5-Fluoropentyl)-N-(quinolin-8-yl)-1H-indazole-3-carboxamide
InChI InChI=1S/C22H21FN4O/c23-13-4-1-5-15-27-19-12-3-2-10-17(19)21(26-27)22(28)25-18-11-6-8-16-9-7-14-24-20(16)18/h2-3,6-12,14H,1,4-5,13,15H2,(H,25,28)
InChIKey GMRIDDSOZRLMAN-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
Purity >=98%
Resolution 8 cm-1
Source of Spectrum Forensic Spectral Research
Technique Vapor Phase
UV - Neutral Conditions UVmax (nm): 245, 332