1-(4-Chlorophenyl)-3,3-bis(methylthio)prop-2-en-1-one

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Systematic / IUPAC Name: 1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)-2-propen-1-one

ID: Reference5182

Other Names: 1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one;
1-(4-Chloro-phenyl)-3,3-di-methylsulfanyl-propenone

Formula: C11H11ClOS2

Spectral Data

1-(4-Chlorophenyl)-3,3-bis(methylthio)prop-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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/18/2016 9:02:50 AM
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Identificators

InChI InChI=1S/C11H11ClOS2/c1-14-11(15-2)7-10(13)8-3-5-9(12)6-4-8/h3-7H,1-2H3
InChI Key GPYHXBMRTUGLQA-UHFFFAOYSA-N
Canonical SMILES CSC(=CC(=O)C1=CC=C(C=C1)Cl)SC
CAS
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Other Names 1-(4-Chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one;
1-(4-Chloro-phenyl)-3,3-di-methylsulfanyl-propenone

In Other Databases

PubChem 2807379
ChemSpider 2085840