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5-fluoro PB-22 8-hydroxyisoquinoline isomer
SpectraBase Compound ID Cki4ahqk3ZI
InChI InChI=1S/C23H21FN2O2/c24-12-4-1-5-14-26-16-20(18-8-2-3-9-21(18)26)23(27)28-22-10-6-7-17-11-13-25-15-19(17)22/h2-3,6-11,13,15-16H,1,4-5,12,14H2
InChIKey FHGAUDJAEICVMC-UHFFFAOYSA-N
Mol Weight 376.43 g/mol
Molecular Formula C23H21FN2O2
Exact Mass 376.158706 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LOYMu8FL7mE
Name 5-Fluoro PB-22 8-hydroxyisoquinoline isomer
Source of Sample Cayman Chemical Company
Catalog Number 14553
Lot Number 0449704-5
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 C23H21FN2O2
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 Isoquinolin-8-yl 1-(5-fluoropentyl)-1H-indole-3-carboxylate
InChI InChI=1S/C23H21FN2O2/c24-12-4-1-5-14-26-16-20(18-8-2-3-9-21(18)26)23(27)28-22-10-6-7-17-11-13-25-15-19(17)22/h2-3,6-11,13,15-16H,1,4-5,12,14H2
InChIKey FHGAUDJAEICVMC-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 376.431 g/mol
Purity >=98%
Resolution 8 cm-1
Source of Spectrum Forensic Spectral Research
Technique Vapor Phase
UV - Neutral Conditions UVmax (nm): 216, 294