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4'-Methyl-N-methylhexanophenone
SpectraBase Compound ID E1Q3AO0UdUm
InChI InChI=1S/C14H21NO/c1-4-5-6-13(15-3)14(16)12-9-7-11(2)8-10-12/h7-10,13,15H,4-6H2,1-3H3
InChIKey BDTHWVVHQBNAGU-UHFFFAOYSA-N
Mol Weight 219.33 g/mol
Molecular Formula C14H21NO
Exact Mass 219.162314 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID GxwdLGp7bKH
Name 4'-Methyl-N-methylhexanophenone
Source of Sample Cayman Chemical Company
Catalog Number Free base of 9001515
Lot Number Free base of 0453891-3
Accessory DurasamplIR II
Classification cathinone analog with structural similarities to buphedrone, a substituted cathinone that has been identified in products that were sold as stimulants
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Formula C14H21NO
InChI InChI=1S/C14H21NO/c1-4-5-6-13(15-3)14(16)12-9-7-11(2)8-10-12/h7-10,13,15H,4-6H2,1-3H3
InChIKey BDTHWVVHQBNAGU-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES N(C(C(c1ccc(cc1)C)=O)CCCC)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 the diamond window for ATR-IR.
Source of Spectrum Forensic Spectral Research
Synonyms 2-​(Methylamino)-​1-​(p-​tolyl)hexan-​1-​one; 4’-Methyl-N-methyl HP; 4’-Methylhexedrone
Technique ATR-Film (MeCl2) (DuraSamplIR II)