JW 618

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Systematic / IUPAC Name: 1,1,1,3,3,3-Hexafluoro-2-propanyl methyl[3-(4-pyridinyl)benzyl]carbamate

ID: Reference5080

Other Names: N-Methyl-N-{[3-(4-pyridinyl)phenyl]methyl}, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester-carbamic acid ;
Carbamic acid, N-methyl-N-{[3-(4-pyridinyl)phenyl]methyl}, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester

Formula: C17H14F6N2O2

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

JW 618 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 10:33:02 AM
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Identificators

InChI InChI=1S/C17H14F6N2O2/c1-25(15(26)27-14(16(18,19)20)17(21,22)23)10-11-3-2-4-13(9-11)12-5-7-24-8-6-12/h2-9,14H,10H2,1H3
InChI Key RBZKWMMBPOHSDF-UHFFFAOYSA-N
Canonical SMILES CN(CC1=CC=CC(=C1)C2=CC=NC=C2)C(=O)OC(C(F)(F)F)C(F)(F)F
CAS 1416133884
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Other Names N-Methyl-N-{[3-(4-pyridinyl)phenyl]methyl}, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester-carbamic acid ;
Carbamic acid, N-methyl-N-{[3-(4-pyridinyl)phenyl]methyl}, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester

In Other Databases

PubChem 71656525
ChemSpider 29341645