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(p-bromophenylthio)acetic acid
SpectraBase Compound ID 5THweNImxSL
InChI InChI=1S/C8H7BrO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey ZREFBQZGAVWLKX-UHFFFAOYSA-N
Mol Weight 247.11 g/mol
Molecular Formula C8H7BrO2S
Exact Mass 245.935014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ARZFNeypdqu
Name [(4-BROMOPHENYL)-THIO]-ACETIC-ACID
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7BrO2S
InChI InChI=1S/C8H7BrO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey ZREFBQZGAVWLKX-UHFFFAOYSA-N
Literature Reference Author K.EGGERS,T.M.FYLES,P.J.MONTOYA-PELAEZ
Literature Reference Citation J.ORG.CHEM.,66,2966(2001)
Literature Reference DOI 10.1021/jo0056848
Molecular Weight 247.106 g/mol
Solvent CDCl3
Source File Reference UWVN26248