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4-fluoro-CUMYL-5-fluoro-PICA
SpectraBase Compound ID Fl1Hb2SA4Yz
InChI InChI=1S/C23H26F2N2O/c1-23(2,17-10-12-18(25)13-11-17)26-22(28)20-16-27(15-7-3-6-14-24)21-9-5-4-8-19(20)21/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,26,28)
InChIKey LZQKZUXWKOPJGX-UHFFFAOYSA-N
Mol Weight 384.47 g/mol
Molecular Formula C23H26F2N2O
Exact Mass 384.20132 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H2BDgBsBop4
Name 4-Fluoro-CUMYL-5-fluoro-PICA
Source of Sample Cayman Chemical Company
Catalog Number 26131
Lot Number 0542660-4
Apodization Function Triangular
CAS Registry Number 1631074-52-6
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 C23H26F2N2O
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-(4-fluorophenyl)-1-methylethyl]-1H-indole-3-carboxamide
InChI InChI=1S/C23H26F2N2O/c1-23(2,17-10-12-18(25)13-11-17)26-22(28)20-16-27(15-7-3-6-14-24)21-9-5-4-8-19(20)21/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,26,28)
InChIKey LZQKZUXWKOPJGX-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 384.471 g/mol
Purity >=98%
Resolution 8 cm-1
Source of Spectrum Forensic Spectral Research
Technique Vapor Phase
UV - Neutral Conditions UVmax (nm): 219, 291