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5-fluoro PB-22 7-hydroxyisoquinoline isomer
SpectraBase Compound ID F5Dv8qQrZtN
InChI InChI=1S/C23H21FN2O2/c24-11-4-1-5-13-26-16-21(20-6-2-3-7-22(20)26)23(27)28-19-9-8-17-10-12-25-15-18(17)14-19/h2-3,6-10,12,14-16H,1,4-5,11,13H2
InChIKey NZHJAVLYBQIOHT-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 928RBqQwGlf
Name 5-Fluoro PB-22 7-hydroxyisoquinoline isomer
Source of Sample Cayman Chemical Company
Catalog Number 14552
Lot Number 0449705-8
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-7-yl 1-(5-fluoropentyl)-1H-indole-3-carboxylate
InChI InChI=1S/C23H21FN2O2/c24-11-4-1-5-13-26-16-21(20-6-2-3-7-22(20)26)23(27)28-19-9-8-17-10-12-25-15-18(17)14-19/h2-3,6-10,12,14-16H,1,4-5,11,13H2
InChIKey NZHJAVLYBQIOHT-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): 217, 294