DIISOBUTYL SULFIDE(592-65-4) ¹³C NMR

Product NameDIISOBUTYL SULFIDE

CAS 592-65-4

Molecular FormulaC8H18S

Molecular Weight146.29

InChIInChI=1S/C8H18S/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3

InChIKey CMWSRWTXVQLHNX-UHFFFAOYSA-N

SmilesS(CC(C)C)CC(C)C

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-3129          
diisobutyl sulfide
C8H18S              (Mass of molecular ion:    146)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       7.4
      29.0      19.2
      39.0       8.0
      41.0      27.6
      42.0       1.9
      43.0       8.1
      45.0       3.9
      46.0       2.7
      47.0       8.0
      48.0       1.8
      49.0       1.0
      53.0       1.3
      55.0      12.3
      56.0      46.5
      57.0     100.0
      58.0       4.5
      59.0       1.3
      60.0       1.1
      61.0      15.9
      62.0       1.2
      69.0       4.5
      75.0       4.1
      88.0       1.6
      89.0       4.5
      90.0       7.6
      91.0       4.2
     103.0      43.3
     104.0       3.3
     105.0       2.1
     117.0       5.3
     131.0       1.7
     146.0      30.5
     147.0       2.9
     148.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₈ S	0.05 ml : 0.5 ml CDCl₃
diisobutyl sulfide

    Assign.     Shift(ppm)

      A             2.373
      B             1.79
      C             0.99

     Hz     ppm     Int.

    216.75   2.421    237
    216.31   2.416    294
    209.75   2.343    433
    173.06   1.933     24
    166.75   1.862     44
    160.44   1.792     35
    159.88   1.786     50
    153.50   1.714     47
    152.69   1.705     36
    147.25   1.645     25
    146.38   1.635     29
     94.06   1.051     30
     91.25   1.019   1000
     87.19   0.974     44
     84.88   0.948    725

in CDCl3