4,5-BIS(BENZOYLTHIO)-1,2-DITHIOL-3-THIONE(82504-65-2) ¹H NMR

Product Name4,5-BIS(BENZOYLTHIO)-1,2-DITHIOL-3-THIONE

CAS 82504-65-2

Molecular FormulaC17H10O2S5

Molecular Weight406.59

InChIInChI=1S/C17H10O2S5/c18-14(11-7-3-1-4-8-11)21-13-16(20)23-24-17(13)22-15(19)12-9-5-2-6-10-12/h1-10H

InChIKey ACVFKHLFCLEUPR-UHFFFAOYSA-N

SmilesC1(C(=S)SSC=1SC(=O)C1C=CC=CC=1)SC(=O)C1=CC=CC=C1

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A     *1      8.061
      B     *1      7.962
      C     *2      7.69
      D     *2      7.65
      E     *3      7.52
      F     *3      7.51

Spectral Code: 1H NMR : 400 MHz in CDCl3

       ppm   Int.  Assign.

      209.24   131      1
      186.82   192      2 *
      185.18   179      3 *
      169.03   155      4
      135.86   279      5 #
      135.43   419      6 *1
      134.46   275      7 #
      134.29   482      8 *1
      129.29   845      9 #1
      128.91  1000     10 #1
      128.45   277     11
      128.10   886     12 #1
      128.01   954     13 #1

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : nujol mull

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4,5-BIS(BENZOYLTHIO)-1,2-DITHIOL-3-THIONE(82504-65-2) 1H NMR

4,5-BIS(BENZOYLTHIO)-1,2-DITHIOL-3-THIONE(82504-65-2) ¹H NMR