4-METHOXYBENZENETHIOL(696-63-9) Raman

Product Name4-METHOXYBENZENETHIOL

CAS 696-63-9

Molecular FormulaC7H8OS

Molecular Weight140.2

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

InChIKey NIFAOMSJMGEFTQ-UHFFFAOYSA-N

SmilesC1(S)=CC=C(OC)C=C1

Request For Quotation

Mass

MS-NW-5626          
p-methoxybenzenethiol
C7H8OS              (Mass of molecular ion:    140)

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

      15.0       1.3
      27.0       1.0
      28.0       1.0
      38.0       1.9
      39.0       3.6
      45.0       8.0
      50.0       2.5
      51.0       2.3
      52.0       1.1
      53.0       7.4
      58.0       1.1
      62.0       1.8
      63.0       4.5
      64.0       2.1
      65.0       3.8
      66.0       1.4
      69.0       7.5
      70.0       5.5
      71.0       2.2
      74.0       1.0
      77.0       2.8
      78.0       1.1
      79.0       1.4
      82.0       1.1
      92.0       1.4
      94.0       1.2
      95.0       4.1
      96.0       5.8
      97.0      25.9
      98.0       2.5
      99.0       1.3
     107.0       1.1
     108.0       1.6
     109.0       3.1
     110.0       2.5
     111.0       1.0
     124.0       3.8
     125.0      60.4
     126.0       4.9
     127.0       3.2
     139.0      11.0
     140.0     100.0
     141.0       9.3
     142.0       5.2
     246.0       1.4

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             7.25
      B             6.79
      C             3.760
      D             3.34

     Hz     ppm     Int.

    654.38   7.307    108
    653.81   7.301    118
    652.13   7.282     49
    651.56   7.276     37
    647.75   7.233     43
    647.19   7.227     41
    645.44   7.207    188
    644.88   7.201    147
    614.69   6.864     25
    611.75   6.831    206
    609.44   6.805     53
    605.06   6.756     56
    602.88   6.732    130
    336.75   3.761   1000
    299.50   3.345    165

in CDCl3