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2,3-Ethylone isomer
SpectraBase Compound ID 1rHSWN8S38D
InChI InChI=1S/C12H15NO3/c1-3-13-8(2)11(14)9-5-4-6-10-12(9)16-7-15-10/h4-6,8,13H,3,7H2,1-2H3
InChIKey QJADLMNXVWSLDV-UHFFFAOYSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 8Hp6wwl2HrM
Name 2,3-Ethylone isomer
Source of Sample Cayman Chemical Company
Catalog Number Free base of 9002142
Lot Number Free base of 0462961-19
Accessory DurasamplIR II
Classification positional isomer of bk-MDEA, having the methylenedioxy group attached to the 2 and 3, rather than the 3 and 4, positions
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Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-3-13-8(2)11(14)9-5-4-6-10-12(9)16-7-15-10/h4-6,8,13H,3,7H2,1-2H3
InChIKey QJADLMNXVWSLDV-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES N(C(C(c1cccc2OCOc12)=O)C)CC
Sample Description crystalline solid
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 1-(Benzo[d][1,3]dioxol-4-yl)-2-(ethylamino)propan-1-one; 2,3-bk-MDEA isomer
Technique ATR-Film (MeCl2) (DuraSamplIR II)