JW 642

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Systematic / IUPAC Name: 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-(3-phenoxybenzyl)-1-piperazinecarboxylate

ID: Reference5079

Other Names: 1,1,1,3,3,3-Hexafluoropropan-2-yl 4-(3-phenoxybenzyl)piperazine-1-carboxylate;
1-Piperazinecarboxylic acid, 4-[(3-phenoxyphenyl)methyl]-, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester

Formula: C21H20F6N2O3

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

JW 642 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/6/2016 10:02:48 AM
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Identificators

InChI InChI=1S/C21H20F6N2O3/c22-20(23,24)18(21(25,26)27)32-19(30)29-11-9-28(10-12-29)14-15-5-4-8-17(13-15)31-16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2
InChI Key AVSCNEOUWSVZEY-UHFFFAOYSA-N
Canonical SMILES C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC(C(F)(F)F)C(F)(F)F
CAS 1416133895
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Other Names 1,1,1,3,3,3-Hexafluoropropan-2-yl 4-(3-phenoxybenzyl)piperazine-1-carboxylate;
1-Piperazinecarboxylic acid, 4-[(3-phenoxyphenyl)methyl]-, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester

In Other Databases

ChemSpider 29341643
PubChem 71656520