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5-fluoro ethylbenzyl-PICA
SpectraBase Compound ID 33XeairgLyK
InChI InChI=1S/C23H27FN2O/c1-2-21(18-11-5-3-6-12-18)25-23(27)20-17-26(16-10-4-9-15-24)22-14-8-7-13-19(20)22/h3,5-8,11-14,17,21H,2,4,9-10,15-16H2,1H3,(H,25,27)
InChIKey YLKKXELHYJFYLY-UHFFFAOYSA-N
Mol Weight 366.48 g/mol
Molecular Formula C23H27FN2O
Exact Mass 366.210742 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4ANNsetcURf
Name 5-Fluoro ethylbenzyl-PICA
Source of Sample Cayman Chemical Company
Catalog Number 24430
Lot Number 0523450-5
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 C23H27FN2O
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-(1-phenylpropyl)-1H-indole-3-carboxamide
InChI InChI=1S/C23H27FN2O/c1-2-21(18-11-5-3-6-12-18)25-23(27)20-17-26(16-10-4-9-15-24)22-14-8-7-13-19(20)22/h3,5-8,11-14,17,21H,2,4,9-10,15-16H2,1H3,(H,25,27)
InChIKey YLKKXELHYJFYLY-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 366.480 g/mol
Purity >=98%
Resolution 8 cm-1
Source of Spectrum Forensic Spectral Research
Technique Vapor Phase
UV - Neutral Conditions UVmax (nm): 218, 290