1-{[1-Isopropyl-5-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl]thio}-3,3-dimethylbutan-2-one

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Systematic / IUPAC Name: 1-{[1-Isopropyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl}-3,3-dimethyl-2-butanone

ID: Reference4465

Other Names: 2-Butanone, 3,3-dimethyl-1-{[1-(1-methylethyl)-5-(trifluoromethyl)-1H-benzimidazol-2-yl]thio}-

Formula: C17H21F3N2OS

Spectral Data

1-{[1-Isopropyl-5-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl]thio}-3,3-dimethylbutan-2-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 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/8/2016 7:19:52 AM
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Identificators

InChI InChI=1S/C17H21F3N2OS/c1-10(2)22-13-7-6-11(17(18,19)20)8-12(13)21-15(22)24-9-14(23)16(3,4)5/h6-8,10H,9H2,1-5H3
InChI Key ZUGVUTBLYZKMAF-UHFFFAOYSA-N
Canonical SMILES CC(C)N1C2=C(C=C(C=C2)C(F)(F)F)N=C1SCC(=O)C(C)(C)C
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Other Names 2-Butanone, 3,3-dimethyl-1-{[1-(1-methylethyl)-5-(trifluoromethyl)-1H-benzimidazol-2-yl]thio}-

In Other Databases

ChemSpider 2025829
PubChem 2744329