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5-fluoro PY-PICA
SpectraBase Compound ID BfAPOyPXd7r
InChI InChI=1S/C18H23FN2O/c19-10-4-1-5-13-21-14-16(15-8-2-3-9-17(15)21)18(22)20-11-6-7-12-20/h2-3,8-9,14H,1,4-7,10-13H2
InChIKey AJOAHRJLOXOZKX-UHFFFAOYSA-N
Mol Weight 302.39 g/mol
Molecular Formula C18H23FN2O
Exact Mass 302.179442 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5hTLRqXqK9a
Name 5-Fluoro PY-PICA
Source of Sample Cayman Chemical Company
Catalog Number 18363
Lot Number 0474976-8
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 C18H23FN2O
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)-1H-indol-3-yl)(pyrrolidin-1-yl)methanone
InChI InChI=1S/C18H23FN2O/c19-10-4-1-5-13-21-14-16(15-8-2-3-9-17(15)21)18(22)20-11-6-7-12-20/h2-3,8-9,14H,1,4-7,10-13H2
InChIKey AJOAHRJLOXOZKX-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 302.393 g/mol
Purity >=98%
Resolution 8 cm-1
Source of Spectrum Forensic Spectral Research
Technique Vapor Phase