1-(3,4-Dimethylthieno[2,3-b]thiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione

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Systematic / IUPAC Name: 1-(3,4-Dimethylthieno[2,3-b]thiophen-2-yl)-4,4,4-trifluoro-1,3-butanedione

ID: Reference3865

Other Names: 1,3-Butanedione, 1-(3,4-dimethylthieno[2,3-b]thien-2-yl)-4,4,4-trifluoro-

Formula: C12H9F3O2S2

Spectral Data

1-(3,4-Dimethylthieno[2,3-b]thiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/15/2016 2:36:55 PM
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Identificators

InChI InChI=1S/C12H9F3O2S2/c1-5-4-18-11-9(5)6(2)10(19-11)7(16)3-8(17)12(13,14)15/h4H,3H2,1-2H3
InChI Key PSBOUGLMMMITRO-UHFFFAOYSA-N
Canonical SMILES CC1=CSC2=C1C(=C(S2)C(=O)CC(=O)C(F)(F)F)C
CAS
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Other Names 1,3-Butanedione, 1-(3,4-dimethylthieno[2,3-b]thien-2-yl)-4,4,4-trifluoro-

In Other Databases

PubChem 2743002
ChemSpider 2024528