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3,4-Methylenedioxy-α-pyrrolidinobutiophenone
SpectraBase Compound ID 5Mk04ugu88P
InChI InChI=1S/C15H19NO3/c1-2-12(16-7-3-4-8-16)15(17)11-5-6-13-14(9-11)19-10-18-13/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKey OLVLMDVPMCIBQW-UHFFFAOYSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 53JGKfTj3Cx
Name 3,4-Methylenedioxy-α-pyrrolidinobutiophenone
Source of Sample Cayman Chemical Company
Catalog Number Free base of 10437
Lot Number Free base of 0471746-1
Accessory DurasamplIR II
Acronyms 3,4-MDPBP
Apodization Function Triangular
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Formula C15H19NO3
IUPAC Name 1-(1,3-Benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-butanone
InChI InChI=1S/C15H19NO3/c1-2-12(16-7-3-4-8-16)15(17)11-5-6-13-14(9-11)19-10-18-13/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKey OLVLMDVPMCIBQW-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES c12c(ccc(c2)C(C(CC)N2CCCC2)=O)OCO1
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.
Scan Speed (number) 5
Solvent Dichloromethane
Source of Spectrum Forensic Spectral Research
Technique ATR-Film