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4-IODO-3,5-BIS-(PROPYLTHIO)-BENZOIC-ACID

View entire compound with spectra: 1 NMR

4-IODO-3,5-BIS-(PROPYLTHIO)-BENZOIC-ACID
SpectraBase Compound ID 6pFK7164Fq3
InChI InChI=1S/C13H17IO2S2/c1-3-5-17-10-7-9(13(15)16)8-11(12(10)14)18-6-4-2/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKey DTEKILFAHSESSL-UHFFFAOYSA-N
Mol Weight 396.3 g/mol
Molecular Formula C13H17IO2S2
Exact Mass 395.971467 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BWOl4T4JVjk
Name 4-IODO-3,5-BIS-(PROPYLTHIO)-BENZOIC-ACID
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17IO2S2
InChI InChI=1S/C13H17IO2S2/c1-3-5-17-10-7-9(13(15)16)8-11(12(10)14)18-6-4-2/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKey DTEKILFAHSESSL-UHFFFAOYSA-N
Literature Reference Author J.T.MANKA,V.C.MCKENZIE,P.KASZYNSKI
Literature Reference Citation J.ORG.CHEM.,69,1967(2004)
Literature Reference DOI 10.1021/jo0302399
Molecular Weight 396.301 g/mol
Solvent Unknown
Source File Reference UWVN21929