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4-Fluoro-PV8
SpectraBase Compound ID LtWWzuIDz7
InChI InChI=1S/C17H24FNO/c1-2-3-4-7-16(19-12-5-6-13-19)17(20)14-8-10-15(18)11-9-14/h8-11,16H,2-7,12-13H2,1H3
InChIKey YAFFHHPPOAYLLA-UHFFFAOYSA-N
Mol Weight 277.38 g/mol
Molecular Formula C17H24FNO
Exact Mass 277.184193 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID ByJKQBVRuK1
Name 4-Fluoro PV8
Source of Sample Cayman Chemical Company
Catalog Number Free base of 15356
Lot Number Free base of 0455494-32
Accessory DurasamplIR II
Acronyms 4-Fluoro α-PHPP; p-Fluoro α-PHPP; para-Fluoro α-PHPP; p-Fluoro-PV8; para-Fluoro-PV8
Apodization Function Triangular
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Formula C17H24FNO
IUPAC Name 1-(4-Fluorophenyl)-2-(pyrrolidin-1-yl)heptan-1-one
InChI InChI=1S/C17H24FNO/c1-2-3-4-7-16(19-12-5-6-13-19)17(20)14-8-10-15(18)11-9-14/h8-11,16H,2-7,12-13H2,1H3
InChIKey YAFFHHPPOAYLLA-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES c1c(ccc(c1)C(C(N1CCCC1)CCCCC)=O)F
Sample Preparation Comments The HCl 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.
Scan Speed (number) 5
Solvent Dichloromethane
Source of Spectrum Forensic Spectral Research
Technique ATR-Film