3-[(4-Chlorophenyl)sulfanyl]-3-methyl-1-(4-phenylpiperazino)-1-butanone

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Systematic / IUPAC Name: 3-[(4-Chlorophenyl)sulfanyl]-3-methyl-1-(4-phenyl-1-piperazinyl)-1-butanone

ID: Reference8650

Other Names: 1-Butanone, 3-[(4-chlorophenyl)thio]-3-methyl-1-(4-phenyl-1-piperazinyl)-

Formula: C21H25ClN2OS

Spectral Data

3-[(4-Chlorophenyl)sulfanyl]-3-methyl-1-(4-phenylpiperazino)-1-butanone 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 110
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/6/2019 11:40:02 AM
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Identificators

InChI InChI=1S/C21H25ClN2OS/c1-21(2,26-19-10-8-17(22)9-11-19)16-20(25)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3
InChI Key NUENNBAHUOYBFX-UHFFFAOYSA-N
Canonical SMILES CC(C)(CC(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=CC=C(C=C3)Cl
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Other Names 1-Butanone, 3-[(4-chlorophenyl)thio]-3-methyl-1-(4-phenyl-1-piperazinyl)-

In Other Databases

PubChem 2814926
ChemSpider 2093311