15570-12-4

3-甲氧基苯硫酚(15570-12-4)质谱(MS)

产品名称:3-甲氧基苯硫酚

CAS:15570-12-4

分子式:C7H8OS

分子量: 140.2

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

InChIKey: QMVAZEHZOPDGHA-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-8199          
m-methoxybenzenethiol
C7H8OS              (Mass of molecular ion:    140)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      38.0       1.3
      39.0       2.9
      45.0       4.9
      50.0       1.4
      51.0       1.6
      53.0       5.1
      58.0       1.0
      62.0       1.3
      63.0       3.7
      64.0       2.1
      65.0       3.5
      66.0       6.8
      67.0       1.1
      69.0       4.9
      70.0       4.0
      71.0       1.7
      77.0       5.7
      78.0       1.4
      79.0       2.2
      81.0       1.7
      82.0       1.1
      84.0       2.8
      92.0       2.0
      94.0       1.3
      95.0       7.2
      96.0       9.8
      97.0      15.7
      98.0       1.2
     107.0       1.6
     108.0       1.9
     109.0       5.6
     110.0       9.0
     111.0       4.9
     124.0       4.9
     125.0      38.7
     126.0       3.2
     127.0       1.8
     139.0       6.6
     140.0     100.0
     141.0       9.1
     142.0       5.0

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             7.109
      B             6.83
      C             6.80
      D             6.688
      E             3.755
      F             3.445

     Hz     ppm     Int.

    646.69   7.221     44
    638.69   7.132    121
    630.56   7.041    112
    615.31   6.871     57
    614.19   6.858     69
    612.00   6.834     47
    610.13   6.813     71
    609.56   6.807     86
    607.75   6.786    136
    603.63   6.740     58
    602.56   6.729     50
    601.19   6.713     35
    595.69   6.652     33
    594.38   6.637     31
    336.38   3.756   1000
    308.56   3.446    238

in CDCl3