N,N-DIISOPROPYLBENZOTHIAZOLE-2-SULFENAMIDE(95-29-4) IR1

Product NameN,N-DIISOPROPYLBENZOTHIAZOLE-2-SULFENAMIDE

CAS 95-29-4

Molecular FormulaC13H18N2S2

Molecular Weight266.43

InChIInChI=1S/C13H18N2S2/c1-9(2)15(10(3)4)17-13-14-11-7-5-6-8-12(11)16-13/h5-10H,1-4H3

InChIKey ILSQBBRAYMWZLQ-UHFFFAOYSA-N

SmilesS1C2=CC=CC=C2N=C1SN(C(C)C)C(C)C

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A          7.82 to 7.72
      B     *1      7.38
      C     *1      7.26
      D             3.446
      E             1.26

Spectral Code: 1H NMR : 90 MHz in CDCl3

       ppm   Int.  Assign.

      182.06   245      1
      155.11   310      2
      134.77   340      3
      125.72   475      4
      123.37   440      5
      121.37   425      6 *
      120.82   450      7 *
       55.69  1000      8
                        9
       22.44   390     10 #
       21.66   385     11 #

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : nujol mull

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