4-(甲硫基)苯酚(1073-72-9)紅外圖譜(IR2)

產品名稱:4-(甲硫基)苯酚

CAS:1073-72-9

分子式:C7H8OS

分子量: 140.2

InChI:InChI=1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3

InChIKey: QASBCTGZKABPKX-UHFFFAOYSA-N

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

Mass

MS-NW-4786          
p-(methylthio)phenol
C7H8OS              (Mass of molecular ion:    140)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.4
      27.0       2.9
      37.0       1.1
      38.0       2.4
      39.0      11.2
      45.0      15.4
      47.0       1.4
      50.0       1.7
      51.0       2.5
      53.0       8.4
      55.0       1.9
      61.0       1.2
      62.0       2.1
      63.0       5.0
      64.0       1.7
      65.0       5.7
      66.0       1.7
      67.0       1.5
      69.0       5.8
      70.0       4.9
      71.0       2.4
      77.0       2.6
      78.0       1.2
      81.0      12.6
      85.0       1.4
      94.0       4.1
      95.0       2.2
      96.0       2.4
      97.0      18.0
      98.0       1.6
     107.0       2.4
     111.0       1.8
     124.0       1.2
     125.0      84.9
     126.0       6.6
     127.0       4.3
     139.0       2.5
     140.0     100.0
     141.0       8.8
     142.0       4.8

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₈ O S	0.019 g : 0.5 ml CDCl₃
p-(methylthio)phenol

    Assign.     Shift(ppm)

      A             7.217
      B             6.781
      C             4.5
      D             2.433

     Hz     ppm     Int.

    651.38   7.274    133
    649.56   7.253     74
    644.88   7.201     47
    642.56   7.175    201
    639.69   7.143     25
    610.94   6.822    204
    608.69   6.797     51
    604.38   6.749     41
    602.13   6.724    129
    217.88   2.433   1000

¹H NMR	399.65 MHz
C₇ H₈ O S	0.017 g : 0.5 ml CDCl₃
p-(methylthio)phenol

    Assign.     Shift(ppm)

      A             7.222
      B             6.787
      C             5.
      D             2.439

     Hz     ppm     Int.

   2890.99   7.234    172
   2888.79   7.229     58
   2884.40   7.218     55
   2882.20   7.212    189
   2879.15   7.205     25
   2716.92   6.799    196
   2714.72   6.793     61
   2710.33   6.782     54
   2708.13   6.777    174
   2705.08   6.769     22
    974.61   2.439   1000
    971.07   2.430     31

in CDCl3