7217-59-6

2-甲氧基苯硫酚(7217-59-6)質(zhì)譜(MS)

產(chǎn)品名稱:2-甲氧基苯硫酚

CAS:7217-59-6

分子式:C7H8OS

分子量: 140.2

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

InChIKey: DSCJETUEDFKYGN-UHFFFAOYSA-N

Smiles:C1(S)=CC=CC=C1OC

Mass

MS-NW-5637          
o-methoxybenzenethiol
C7H8OS              (Mass of molecular ion:    140)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.5
      27.0       1.2
      28.0       1.5
      37.0       1.1
      38.0       2.2
      39.0       5.8
      45.0      11.0
      47.0       1.2
      50.0       2.5
      51.0       4.0
      52.0       1.8
      53.0       8.5
      58.0       1.2
      62.0       1.6
      63.0       3.9
      64.0       1.8
      65.0       8.5
      66.0       1.9
      67.0       1.0
      69.0       8.1
      70.0       4.7
      71.0       2.3
      77.0       5.4
      78.0       1.9
      79.0       1.2
      81.0       1.1
      82.0       1.5
      92.0       1.5
      93.0       2.4
      94.0       1.3
      95.0       3.3
      96.0       4.2
      97.0      37.0
      98.0       2.9
      99.0       1.7
     107.0       1.2
     108.0       2.5
     109.0       7.6
     110.0       2.1
     111.0       4.1
     125.0      54.8
     126.0       4.4
     127.0       2.8
     137.0       1.1
     139.0       1.8
     140.0     100.0
     141.0       8.8
     142.0       5.3
     246.0       1.0
     278.0       3.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₈ O S	0.04 ml : 0.5 ml CDCl₃
o-methoxybenzenethiol

    Assign.     Shift(ppm)

      A             7.11
      B             7.22
      C             6.83
      D             6.82
      E             3.860
      F             3.79

     Hz     ppm     Int.

    653.19   7.294     54
    651.31   7.273     69
    650.88   7.268     67
    645.38   7.207    101
    643.94   7.191    121
    643.56   7.186    124
    637.75   7.121     95
    635.19   7.093     49
    630.13   7.036    104
    628.19   7.015     75
    619.56   6.918     38
    618.00   6.901    110
    615.06   6.868     83
    613.69   6.853     85
    611.69   6.830     96
    610.31   6.815     44
    607.13   6.780     42
    605.69   6.763     38
    604.56   6.751     34
    603.06   6.734     30
    345.69   3.860   1000
    339.75   3.794    339

in CDCl3