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NPB-22
SpectraBase Compound ID IJTfeH3T3H9
InChI InChI=1S/C22H21N3O2/c1-2-3-6-15-25-18-12-5-4-11-17(18)21(24-25)22(26)27-19-13-7-9-16-10-8-14-23-20(16)19/h4-5,7-14H,2-3,6,15H2,1H3
InChIKey UWICFJAXLKCHTQ-UHFFFAOYSA-N
Mol Weight 359.43 g/mol
Molecular Formula C22H21N3O2
Exact Mass 359.163377 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8VqrbSL8gt4
Name NPB-22
Source of Sample Cayman Chemical Company
Catalog Number 15535
Lot Number 0456148-10
Apodization Function Triangular
CAS Registry Number 1445579-61-2
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 C22H21N3O2
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-Pentyl-1H-indazole-3-carboxylic acid, 8-quinolinyl ester
InChI InChI=1S/C22H21N3O2/c1-2-3-6-15-25-18-12-5-4-11-17(18)21(24-25)22(26)27-19-13-7-9-16-10-8-14-23-20(16)19/h4-5,7-14H,2-3,6,15H2,1H3
InChIKey UWICFJAXLKCHTQ-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 359.429 g/mol
Purity >=98%
Resolution 8 cm-1
Source of Spectrum Forensic Spectral Research
Technique Vapor Phase
UV - Neutral Conditions UVmax (nm): 226, 302