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Hexadecylpyridinium
SpectraBase Compound ID LgSp6PDNlel
InChI InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3/q+1
InChIKey NEUSVAOJNUQRTM-UHFFFAOYSA-N
Mol Weight 304.5 g/mol
Molecular Formula C21H38N
Exact Mass 304.300425 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID FgxlQL24Yrs
Name Hexadecylpyridinium
Source of Sample Sigma-Aldrich Inc.
Catalog Number Free base of C-9002
Lot Number Free base of 110F-0508
Accessory DurasamplIR II
CAS Registry Number 7773-52-6
Compound Type Pure
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Formula C21H38N
InChI InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3/q+1
InChIKey NEUSVAOJNUQRTM-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES c1cccc[n+]1CCCCCCCCCCCCCCCC
Sample Preparation Procedure The chloride salt was dissolved in 0.5 ml water in a test tube, and 1 drop of 30% NaOH solution was added, causing the clear solution to turn cloudy white. 1 ml dichloromethane was added to the test tube, which was shaken thoroughly using a vortex mixer. The test tube was spun in a centrifuge to separate the organic and aqueous layers. The bottom organic layer was retrieved with a pipette and placed in another clean test tube. Most of the solvent was evaporated from the tube using a flow of nitrogen gas, and the remaining solution was used to create a film on the diamond window for ATR-IR.
Source of Spectrum Forensic Spectral Research
Synonyms Cetylpyridinium
Technique ATR-Film (MeCl2) (DuraSamplIR II)