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5-fluoro-tert-Butylbenzyl-PINACA
SpectraBase Compound ID Ky9sOrAPYYD
InChI InChI=1S/C24H30FN3O/c1-24(2,3)22(18-12-6-4-7-13-18)26-23(29)21-19-14-8-9-15-20(19)28(27-21)17-11-5-10-16-25/h4,6-9,12-15,22H,5,10-11,16-17H2,1-3H3,(H,26,29)
InChIKey XRAMUHKDZOPJDF-UHFFFAOYSA-N
Mol Weight 395.52 g/mol
Molecular Formula C24H30FN3O
Exact Mass 395.237291 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L8XeZvcvoI5
Name 5-Fluoro-tert-butylbenzyl PINACA
Source of Sample Cayman Chemical Company
Catalog Number 23351
Lot Number 0516381-5
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 C24H30FN3O
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 N-(2,2-Dimethyl-1-phenylpropyl)-1-(5-fluoropentyl)-1H-indazole-3-carboxamide
InChI InChI=1S/C24H30FN3O/c1-24(2,3)22(18-12-6-4-7-13-18)26-23(29)21-19-14-8-9-15-20(19)28(27-21)17-11-5-10-16-25/h4,6-9,12-15,22H,5,10-11,16-17H2,1-3H3,(H,26,29)
InChIKey XRAMUHKDZOPJDF-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
Purity >=98%
Resolution 8 cm-1
Source of Spectrum Forensic Spectral Research
Synonyms 5-Fluoro-TBB-PINACA
Technique Vapor Phase
UV - Neutral Conditions UVmax (nm): 210, 304