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4-(3-BROMO-2-OXOPROPYL)-2,2-BIS-(TRIFLUOROMETHYL)-1,3-OXATHIOLAN-5-ONE
SpectraBase Compound ID 5cYVPzqOLhi
InChI InChI=1S/C8H5BrF6O3S/c9-2-3(16)1-4-5(17)18-6(19-4,7(10,11)12)8(13,14)15/h4H,1-2H2
InChIKey IOFXEMQETXKAFJ-UHFFFAOYSA-N
Mol Weight 375.08 g/mol
Molecular Formula C8H5BrF6O3S
Exact Mass 373.904697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGkxOsfdNI4
Name 4-(3-BROMO-2-OXOPROPYL)-2,2-BIS-(TRIFLUOROMETHYL)-1,3-OXATHIOLAN-5-ONE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H5BrF6O3S
InChI InChI=1S/C8H5BrF6O3S/c9-2-3(16)1-4-5(17)18-6(19-4,7(10,11)12)8(13,14)15/h4H,1-2H2
InChIKey IOFXEMQETXKAFJ-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 375.080 g/mol
Solvent ACETONE-D6
Source File Reference UWMS22576