Product Name2-Ethylphenethyl(phenyl) sulfide

CAS

Molecular FormulaC32H34S

Molecular Weight450.67736

InChIInChI=1S/C32H34S/c1-3-25-13-5-7-15-27(25)21-23-29-17-9-11-19-31(29)33-32-20-12-10-18-30(32)24-22-28-16-8-6-14-26(28)4-2/h5-20H,3-4,21-24H2,1-2H3

InChIKey JDTXDFRMIPSMSW-UHFFFAOYSA-N

SmilesS(C1=CC=CC=C1CCC1=CC=CC=C1CC)C1=CC=CC=C1CCC1=CC=CC=C1CC

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             7.371
      B             7.289
      C             7.18
      D     *1      7.18
      E     *1      7.17
      F     *2      7.14
      G     *2      7.13
      J             3.11
      K             2.93
      L             2.586
      M             1.170

Spectral Code: 1H NMR : 400 MHz in CDCl3

       ppm   Int.  Assign.

      142.03   258      1
      137.87   245      2
      136.68   175      3
      129.77   787      4
      129.36   381      5
      128.95  1000      6
      128.70   314      7
      126.85   375      8
      126.17   587      9 *
      126.10   431     10 *
       35.08   333     11
       32.79   307     12
       25.59   416     13
       15.40   281     14

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : liquid film

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