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5-Fluoro APP-PINACA
SpectraBase Compound ID BRvSTruMMIO
InChI InChI=1S/C22H25FN4O2/c23-13-7-2-8-14-27-19-12-6-5-11-17(19)20(26-27)22(29)25-18(21(24)28)15-16-9-3-1-4-10-16/h1,3-6,9-12,18H,2,7-8,13-15H2,(H2,24,28)(H,25,29)/t18-/m0/s1
InChIKey OJTAHWMZBJRSIR-SFHVURJKSA-N
Mol Weight 396.47 g/mol
Molecular Formula C22H25FN4O2
Exact Mass 396.196154 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EZkgJF02fG5
Name 5-Fluoro APP-PINACA
Source of Sample Cayman Chemical Company
Catalog Number 16434
Lot Number 0461309-24
Apodization Function Triangular
CAS Registry Number 2365471-47-0
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 C22H25FN4O2
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 (S)-N-(1-Amino-1-oxo-3-phenylpropan-2-yl)-1-(5-fluoropentyl)-1H-indazole-3-carboxamide
InChI InChI=1S/C22H25FN4O2/c23-13-7-2-8-14-27-19-12-6-5-11-17(19)20(26-27)22(29)25-18(21(24)28)15-16-9-3-1-4-10-16/h1,3-6,9-12,18H,2,7-8,13-15H2,(H2,24,28)(H,25,29)/t18-/m0/s1
InChIKey OJTAHWMZBJRSIR-SFHVURJKSA-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
Synonyms 5-Fluoro APP-PINACA; FU-PX
Technique Vapor Phase
UV - Neutral Conditions UVmax (nm): 209, 302