3-[(2-Chloro-6-fluorobenzyl)thio]-5-phenylcyclohex-2-en-1-one

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Systematic / IUPAC Name: 3-[(2-Chloro-6-fluorobenzyl)sulfanyl]-5-phenyl-2-cyclohexen-1-one

ID: Reference8697

Other Names: 2-Cyclohexen-1-one, 3-[[(2-chloro-6-fluorophenyl)methyl]thio]-5-phenyl-;
3-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-5-phenylcyclohex-2-en-1-one

Formula: C19H16ClFOS

Spectral Data

3-[(2-Chloro-6-fluorobenzyl)thio]-5-phenylcyclohex-2-en-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 110
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/8/2019 9:42:32 AM
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Identificators

InChI InChI=1S/C19H16ClFOS/c20-18-7-4-8-19(21)17(18)12-23-16-10-14(9-15(22)11-16)13-5-2-1-3-6-13/h1-8,11,14H,9-10,12H2
InChI Key OAEOHIOZXWXIPO-UHFFFAOYSA-N
Canonical SMILES C1C(CC(=O)C=C1SCC2=C(C=CC=C2Cl)F)C3=CC=CC=C3
CAS
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Other Names 2-Cyclohexen-1-one, 3-[[(2-chloro-6-fluorophenyl)methyl]thio]-5-phenyl-;
3-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-5-phenylcyclohex-2-en-1-one

In Other Databases

PubChem 588828
ChemSpider 511861