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5-Fluoro SDB-005
SpectraBase Compound ID 1Txd8GVZYrm
InChI InChI=1S/C23H21FN2O2/c24-15-6-1-7-16-26-20-13-5-4-12-19(20)22(25-26)23(27)28-21-14-8-10-17-9-2-3-11-18(17)21/h2-5,8-14H,1,6-7,15-16H2
InChIKey FNMFGMMHNFDPNT-UHFFFAOYSA-N
Mol Weight 376.43 g/mol
Molecular Formula C23H21FN2O2
Exact Mass 376.158706 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7xNvYbfTyVc
Name 5-Fluoro SDB-005
Source of Sample Cayman Chemical Company
Catalog Number 15353
Lot Number 0454996-7
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 C23H21FN2O2
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 Naphthalen-1-yl 1-(5-fluoropentyl)-1H-indazole-3-carboxylate
InChI InChI=1S/C23H21FN2O2/c24-15-6-1-7-16-26-20-13-5-4-12-19(20)22(25-26)23(27)28-21-14-8-10-17-9-2-3-11-18(17)21/h2-5,8-14H,1,6-7,15-16H2
InChIKey FNMFGMMHNFDPNT-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 376.431 g/mol
Purity >=98%
Resolution 8 cm-1
Source of Spectrum Forensic Spectral Research
Technique Vapor Phase
UV - Neutral Conditions UVmax (nm): 221, 302