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3,4-Methylenedioxy-N-benzylcathinone
SpectraBase Compound ID BCXxLEu8bqg
InChI InChI=1S/C17H17NO3/c1-12(18-10-13-5-3-2-4-6-13)17(19)14-7-8-15-16(9-14)21-11-20-15/h2-9,12,18H,10-11H2,1H3
InChIKey KRNIYOJEASBDDP-UHFFFAOYSA-N
Mol Weight 283.33 g/mol
Molecular Formula C17H17NO3
Exact Mass 283.120843 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID HiLQoyBmRLT
Name 3,4-Methylenedioxy-N-benzylcathinone
Source of Sample Cayman Chemical Company
Catalog Number Free base of 9001330
Lot Number Free base of 0441190-17
Accessory DurasamplIR II
Classification substituted cathinone that is structurally analogous to methylone, a narcotic that is regulated in the United States
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Formula C17H17NO3
InChI InChI=1S/C17H17NO3/c1-12(18-10-13-5-3-2-4-6-13)17(19)14-7-8-15-16(9-14)21-11-20-15/h2-9,12,18H,10-11H2,1H3
InChIKey KRNIYOJEASBDDP-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
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.
Source of Spectrum Forensic Spectral Research
Synonyms BMDP; 1-​(Benzo[d][1,​3]dioxol-​5-​yl)-​2-​(benzylamino)propan-​1-​one
Technique ATR-Film (MeCl2) (DuraSamplIR II)