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4-(3-BROMO-2-OXOPROPYL)-2,2-BIS-(TRIFLUOROMETHYL)-1,3-OXATHIOLAN-5-ONE

View entire compound with spectra: 3 NMR, and 1 MS (GC)

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 7SO0qOV1hVL
Name IOFXEMQETXKAFJ-UHFFFAOYSA-N
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 ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 375.080 g/mol
Source File Reference MHKO26888