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thiobenzoic acid S-(4-bromo-3-keto-butyl) ester
SpectraBase Compound ID DwS5pXkRvCg
InChI InChI=1S/C11H11BrO2S/c12-8-10(13)6-7-15-11(14)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey VTJZDTVUAMMPFD-UHFFFAOYSA-N
Mol Weight 287.17 g/mol
Molecular Formula C11H11BrO2S
Exact Mass 285.966314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22EgxQ7mqzI
Name thiobenzoic acid S-(4-bromo-3-keto-butyl) ester
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H11BrO2S
InChI InChI=1S/C11H11BrO2S/c12-8-10(13)6-7-15-11(14)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey VTJZDTVUAMMPFD-UHFFFAOYSA-N
Literature Reference Author R.M.LUEOEND,J.WALKER,R.W.NEIER
Literature Reference Citation J.ORG.CHEM.,57,5005(1992)
Literature Reference DOI 10.1021/jo00044a041
Molecular Weight 287.171 g/mol
Solvent CDCl3
Source File Reference UWCS1269