(E)-4-(Methylthio)chalcone(79134-84-2) IR1

Product Name(E)-4-(Methylthio)chalcone

CAS 79134-84-2

Molecular FormulaC10H10OS

Molecular Weight178.25

InChIInChI=1S/C10H10OS/c1-12-8-7-10(11)9-5-3-2-4-6-9/h2-8H,1H3/b8-7+

InChIKey QWBAQSSFENOOBQ-BQYQJAHWSA-N

SmilesC(C1=CC=CC=C1)(=O)/C=C/SC

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             8.00
      B             7.76
      C          7.60 to 7.42
      D             7.51
      E             7.25
      F             2.497
     
     400MHZ:HSP-41-968

Spectral Code: 1H NMR : 90 MHz in CDCl3

       ppm   Int.  Assign.

      190.34   122      1
      144.22   459      2
      142.37   168      3
      138.34   210      4
      132.64   444      5
      131.40   253      6
      128.78  1000      7 *
      128.56   932      8 *
      128.41   959      9 *
      126.03   829     10
      121.07   412     11
       15.13   382     12

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : nujol mull

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