3446-90-0

对甲硫基苯甲醇(3446-90-0)核磁图(¹HNMR)

产品名称:对甲硫基苯甲醇

CAS:3446-90-0

分子式:C8H10OS

分子量: 154.23

InChI:InChI=1S/C8H10OS/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3

InChIKey: MTXQKSQYMREAGJ-UHFFFAOYSA-N

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

Mass

MS-IW-0096          
p-(methylthio)benzyl alcohol
C8H10OS             (Mass of molecular ion:    154)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.1
      27.0       1.4
      29.0       1.3
      31.0       1.3
      38.0       1.0
      39.0       4.6
      41.0       1.0
      45.0      10.9
      47.0       1.6
      50.0       4.0
      51.0       7.7
      52.0       1.7
      53.0       1.6
      58.0       1.4
      62.0       1.7
      63.0       4.2
      65.0       4.6
      66.0       3.1
      67.0       1.9
      69.0       4.9
      71.0       1.4
      74.0       1.7
      75.0       2.9
      76.0       2.0
      77.0      24.5
      78.0      10.2
      79.0      34.5
      80.0       2.4
      82.0       1.9
      84.0       1.0
      89.0       2.5
      91.0       5.1
      95.0       1.1
     105.0       3.8
     106.0       1.0
     107.0      35.0
     108.0       5.6
     109.0      24.3
     110.0      10.9
     111.0       4.7
     121.0       5.3
     122.0      10.1
     123.0       5.6
     124.0       2.1
     125.0      20.1
     126.0       2.1
     127.0       1.0
     135.0       2.0
     136.0       1.0
     137.0      29.4
     138.0       4.6
     139.0       5.7
     151.0       9.3
     152.0       7.6
     153.0      20.5
     154.0     100.0
     155.0      10.6
     156.0       5.3
     168.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₀ O S	0.033 g : 0.5 ml CDCl₃
p-(methylthio)benzyl alcohol

    Assign.     Shift(ppm)

      A     *1      7.245
      B     *1      7.229
      C             4.591
      D             2.464
      E             2.20

     Hz     ppm     Int.

   2902.71   7.264     49
   2900.51   7.258     54
   2896.73   7.249     47
   2894.17   7.242    332
   2891.11   7.235    397
   2888.43   7.228     65
   2885.01   7.219     33
   2883.30   7.215     44
   2882.45   7.213     60
   1835.08   4.592    249
    984.86   2.465   1000
    878.66   2.199     39

in CDCl3