1-[2-({[3-(Trifluoromethyl)benzyl]sulfonyl}methyl)-1,3-thiazol-4-yl]ethan-1-one

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Systematic / IUPAC Name: 1-[2-({[3-(Trifluoromethyl)benzyl]sulfonyl}methyl)-1,3-thiazol-4-yl]ethanone

ID: Reference6012

Other Names: 1-(2-{[3-(Trifluoromethyl)phenyl]methylsulfonylmethyl}-1,3-thiazol-4-yl)ethanone ;
Ethanone, 1-{2-[({[3-(trifluoromethyl)phenyl]methyl}sulfonyl)methyl]-4-thiazolyl}-

Formula: C14H12F3NO3S2

Spectral Data

1-[2-({[3-(Trifluoromethyl)benzyl]sulfonyl}methyl)-1,3-thiazol-4-yl]ethan-1-one 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 Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/16/2016 2:51:22 PM
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Identificators

InChI InChI=1S/C14H12F3NO3S2/c1-9(19)12-6-22-13(18-12)8-23(20,21)7-10-3-2-4-11(5-10)14(15,16)17/h2-6H,7-8H2,1H3
InChI Key CBBNBFUYBPUXFB-UHFFFAOYSA-N
Canonical SMILES CC(=O)C1=CSC(=N1)CS(=O)(=O)CC2=CC(=CC=C2)C(F)(F)F
CAS
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Other Names 1-(2-{[3-(Trifluoromethyl)phenyl]methylsulfonylmethyl}-1,3-thiazol-4-yl)ethanone ;
Ethanone, 1-{2-[({[3-(trifluoromethyl)phenyl]methyl}sulfonyl)methyl]-4-thiazolyl}-

In Other Databases

ChemSpider 2026288
PubChem 2744800