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8-[(4-bromobenzyl)thio]cyclohepta[c]oxathiole-3,4-quinone

View entire compound with spectra: 1 NMR

8-[(4-bromobenzyl)thio]cyclohepta[c]oxathiole-3,4-quinone
SpectraBase Compound ID DvCui5M5nfJ
InChI InChI=1S/C15H9BrO3S2/c16-10-6-4-9(5-7-10)8-20-12-3-1-2-11(17)13-14(12)21-19-15(13)18/h1-7H,8H2
InChIKey JXPVFHRWKKSYNW-UHFFFAOYSA-N
Mol Weight 381.26 g/mol
Molecular Formula C15H9BrO3S2
Exact Mass 379.917649 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A4EMqGvyI2D
Name 8-[(4-bromobenzyl)thio]cyclohepta[c]oxathiole-3,4-quinone
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H9BrO3S2
InChI InChI=1S/C15H9BrO3S2/c16-10-6-4-9(5-7-10)8-20-12-3-1-2-11(17)13-14(12)21-19-15(13)18/h1-7H,8H2
InChIKey JXPVFHRWKKSYNW-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 381.259 g/mol
Source File Reference MHKO21193