| 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 |
| Copyright |
Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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) |
