3120-74-9

3-甲基-4-甲硫基苯酚(3120-74-9)核磁图(¹³CNMR)

产品名称:3-甲基-4-甲硫基苯酚

CAS:3120-74-9

分子式:C8H10OS

分子量: 154.23

InChI:InChI=1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3

InChIKey: VKALYYFVKBXHTF-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(SC)C(C)=C1

Mass

MS-NW-3348          
4-methylthio-m-cresol
C8H10OS             (Mass of molecular ion:    154)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.0
      27.0       2.2
      38.0       1.3
      39.0       5.5
      41.0       1.2
      45.0      32.8
      47.0       1.8
      50.0       1.9
      51.0       5.1
      52.0       2.1
      53.0       2.7
      55.0       2.6
      59.0       1.0
      62.0       1.1
      63.0       2.2
      65.0       3.3
      66.0       1.8
      67.0       2.2
      69.0       3.5
      70.0       1.7
      71.0       1.5
      77.0      13.5
      78.0       4.7
      79.0       2.0
      85.0       1.3
      91.0       1.8
      94.0       1.5
      95.0      16.4
      96.0       1.1
     105.0       1.2
     107.0       8.0
     108.0       1.7
     109.0       3.3
     110.0       2.3
     111.0       4.0
     121.0       1.8
     125.0       1.1
     137.0       2.8
     138.0       1.3
     139.0      48.4
     140.0       4.4
     141.0       2.6
     153.0       4.2
     154.0     100.0
     155.0      10.0
     156.0       5.1
     168.0       3.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₀ O S	0.049 g : 0.5 ml CDCl₃
4-methylthio-m-cresol

    Assign.     Shift(ppm)

      A             7.13
      B             6.68
      C             6.66
      D             5.11
      E             2.368
      F             2.32

     Hz     ppm     Int.

    643.44   7.185     50
    640.38   7.151     22
    634.31   7.083     75
    601.31   6.715     24
    599.06   6.689    137
    598.44   6.683    168
    597.75   6.675    116
    597.00   6.666     65
    596.25   6.658     71
    595.56   6.650     67
    594.88   6.643     36
    592.44   6.616     51
    591.88   6.609     51
    213.50   2.384     88
    212.06   2.368   1000
    210.19   2.347    118
    207.75   2.320    446

in CDCl3