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4-methoxy PV8
SpectraBase Compound ID 1KrjxkMT7MT
InChI InChI=1S/C18H27NO2/c1-3-4-5-8-17(19-13-6-7-14-19)18(20)15-9-11-16(21-2)12-10-15/h9-12,17H,3-8,13-14H2,1-2H3
InChIKey HYDJQOYJALXHLU-UHFFFAOYSA-N
Mol Weight 289.42 g/mol
Molecular Formula C18H27NO2
Exact Mass 289.204179 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID GkfdzcoIS71
Name 4-Methoxy PV8
Source of Sample Cayman Chemical Company
Catalog Number Free base of 15497
Lot Number Free base of 0455586-26
Accessory DurasamplIR II
Acronyms 4-MeO-PV8; p-MeO-PV8; para-MeO-PV8; 4-Methoxy PHPP; p-Methoxy PV8; para-Methoxy PV8; p-Methoxy PHPP; para-Methoxy PHPP
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Formula C18H27NO2
IUPAC Name 1-(4-Methoxyphenyl)-2-(pyrrolidin-1-yl)heptan-1-one
InChI InChI=1S/C18H27NO2/c1-3-4-5-8-17(19-13-6-7-14-19)18(20)15-9-11-16(21-2)12-10-15/h9-12,17H,3-8,13-14H2,1-2H3
InChIKey HYDJQOYJALXHLU-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 289.419 g/mol
SMILES c1c(ccc(c1)OC)C(C(CCCCC)N1CCCC1)=O
Sample Preparation Procedure 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.
Solvent Dichloromethane
Source of Spectrum Forensic Spectral Research
Technique ATR-Film