6-Chloro-3-{[4-phenyl-5-(trifluoromethyl)-2-thienyl]methylene}-2,3-dihydro-4H-1-benzothiopyran-4-one

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Systematic / IUPAC Name: (3E)-6-Chloro-3-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylidene]thiochromen-4-one

ID: Reference8535

Other Names: 4H-1-Benzothiopyran-4-one, 6-chloro-2,3-dihydro-3-[[4-phenyl-5-(trifluoromethyl)-2-thienyl]methylene]-, (3E)-

Formula: C21H12ClF3OS2

Spectral Data

6-Chloro-3-{[4-phenyl-5-(trifluoromethyl)-2-thienyl]methylene}-2,3-dihydro-4H-1-benzothiopyran-4-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 126
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/27/2019 11:18:22 AM
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Identificators

InChI InChI=1S/C21H12ClF3OS2/c22-14-6-7-18-17(9-14)19(26)13(11-27-18)8-15-10-16(12-4-2-1-3-5-12)20(28-15)21(23,24)25/h1-10H,11H2/b13-8-
InChI Key DQIAQQOZLPCXNR-JYRVWZFOSA-N
Canonical SMILES C1C(=CC2=CC(=C(S2)C(F)(F)F)C3=CC=CC=C3)C(=O)C4=C(S1)C=CC(=C4)Cl
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Other Names 4H-1-Benzothiopyran-4-one, 6-chloro-2,3-dihydro-3-[[4-phenyl-5-(trifluoromethyl)-2-thienyl]methylene]-, (3E)-

In Other Databases

ChemSpider 4643506
PubChem 5703364