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2-Methyl-α-pyrrolidinobutiophenone
SpectraBase Compound ID Cwh0wgrQ7cL
InChI InChI=1S/C15H21NO/c1-3-14(16-10-6-7-11-16)15(17)13-9-5-4-8-12(13)2/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3
InChIKey RZXMFZFHBTYBOE-UHFFFAOYSA-N
Mol Weight 231.34 g/mol
Molecular Formula C15H21NO
Exact Mass 231.162314 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HCOFcoh3SVB
Name 2-Methyl-α-pyrrolidinobutiophenone
Source of Sample Cayman Chemical Company
Catalog Number Free base of 9001188
Lot Number Free base of 0435101-10
Acronyms 2-Methyl PBP
Classification an isomer of 4-Me-alpha-PBP having the methyl group attached at the 2 position of the phenyl ring, instead of the 4 position
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Formula C15H21NO
IUPAC Name 2-(Pyrrolidin-1-yl)-1-(o-tolyl)butan-1-one
InChI InChI=1S/C15H21NO/c1-3-14(16-10-6-7-11-16)15(17)13-9-5-4-8-12(13)2/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3
InChIKey RZXMFZFHBTYBOE-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES c1(c(cccc1)C(C(CC)N1CCCC1)=O)C
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 a KBr wafer for Transmission IR.
Source of Spectrum Forensic Spectral Research
Technique Film (Dichloromethane)