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para-Chloroisobutyryl fentanyl
SpectraBase Compound ID Bfn2kzdzQ0q
InChI InChI=1S/C23H29ClN2O/c1-18(2)23(27)26(21-10-8-20(24)9-11-21)22-13-16-25(17-14-22)15-12-19-6-4-3-5-7-19/h3-11,18,22H,12-17H2,1-2H3
InChIKey YWHLYGSHOQKCJG-UHFFFAOYSA-N
Mol Weight 384.95 g/mol
Molecular Formula C23H29ClN2O
Exact Mass 384.196841 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID FErZGi1AMba
Name para-Chloroisobutyryl fentanyl
Source of Sample Cayman Chemical Company
Catalog Number Free Base of 20018
Lot Number Free base of 0490774-18
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
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DEA Schedule I
Formula C23H29ClN2O
IUPAC Name N-(4-Chlorophenyl)-2-methyl-N-[1-(2-phenylethyl)-4-piperidinyl]propanamide
InChI InChI=1S/C23H29ClN2O/c1-18(2)23(27)26(21-10-8-20(24)9-11-21)22-13-16-25(17-14-22)15-12-19-6-4-3-5-7-19/h3-11,18,22H,12-17H2,1-2H3
InChIKey YWHLYGSHOQKCJG-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES c1cc(ccc1N(C(C(C)C)=O)C1CCN(CC1)CCc1ccccc1)Cl
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