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4-[2-(2-THIENYL)-THIAZOL-4-YLMETHYL]-2,2-BIS-(TRIFLUOROMETHYL)-1,3-OXATHIOLAN-5-ONE
SpectraBase Compound ID JxNmzKVOqwX
InChI InChI=1S/C13H7F6NO2S3/c14-12(15,16)11(13(17,18)19)22-10(21)8(25-11)4-6-5-24-9(20-6)7-2-1-3-23-7/h1-3,5,8H,4H2
InChIKey CXQJKSLMMUPBEN-UHFFFAOYSA-N
Mol Weight 419.37 g/mol
Molecular Formula C13H7F6NO2S3
Exact Mass 418.954311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zIawseT67h
Name 4-[2-(2-THIENYL)-THIAZOL-4-YLMETHYL]-2,2-BIS-(TRIFLUOROMETHYL)-1,3-OXATHIOLAN-5-ONE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H7F6NO2S3
InChI InChI=1S/C13H7F6NO2S3/c14-12(15,16)11(13(17,18)19)22-10(21)8(25-11)4-6-5-24-9(20-6)7-2-1-3-23-7/h1-3,5,8H,4H2
InChIKey CXQJKSLMMUPBEN-UHFFFAOYSA-N
Literature Reference Author K.PUMPOR,E.WINDEISEN,K.BURGER
Literature Reference Citation J.HETCYCL.CHEM.,40,435(2003)
Literature Reference DOI 10.1002/jhet.5570400306
Molecular Weight 419.374 g/mol
Solvent CDCl3
Source File Reference UWMS22578