55690-60-3

2-MERCAPTO-5-METHOXYBENZOTHIAZOLE(55690-60-3) ¹³C NMR

Product Name2-MERCAPTO-5-METHOXYBENZOTHIAZOLE

CAS 55690-60-3

Molecular FormulaC8H7NOS2

Molecular Weight197.28

InChIInChI=1S/C8H7NOS2/c1-10-5-2-3-7-6(4-5)9-8(11)12-7/h2-4H,1H3,(H,9,11)

InChIKey JDPITNFDYXOKRM-UHFFFAOYSA-N

SmilesS1C2=CC=C(OC)C=C2NC1=S

Request For Quotation

2-MERCAPTO-5-METHOXYBENZOTHIAZOLE(55690-60-3) <sup>13</sup>C NMR
Mass

MS-IW-9550          
5-methoxy-2-benzothiazolethiol
C8H7NOS2            (Mass of molecular ion:    197)

   Source Temperature: 170 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       1.0
      28.0       1.0
      38.0       1.3
      39.0       2.3
      45.0       8.9
      50.0       1.6
      51.0       3.8
      52.0       1.3
      53.0       1.0
      61.0       1.1
      62.0       2.4
      63.0       5.4
      64.0       1.1
      68.0       1.0
      69.0      10.4
      70.0       4.0
      71.0       1.6
      76.0       1.0
      77.0       1.2
      78.0       3.6
      79.0       1.5
      82.0       1.4
      83.0       1.8
      93.0       1.7
      94.0       1.0
      95.0      11.4
      96.0       4.1
      97.0       1.0
      98.0       1.3
      98.5       5.5
     102.0       1.0
     108.0       1.3
     109.0       2.6
     110.0       4.7
     121.0       1.1
     122.0       2.6
     123.0       6.6
     124.0       1.2
     127.0       3.9
     133.0       4.2
     134.0       1.0
     135.0       1.1
     138.0       2.0
     139.0       1.5
     150.0       1.2
     151.0       1.5
     152.0       1.7
     153.0       1.5
     154.0      27.1
     155.0       3.3
     156.0       2.6
     164.0       1.1
     165.0       2.7
     166.0       2.0
     167.0       1.9
     168.0       1.7
     178.0       1.0
     181.0       1.6
     182.0      39.3
     183.0       3.8
     184.0       3.9
     196.0       4.4
     197.0     100.0
     198.0      11.5
     199.0      10.0
     200.0       1.0

400 MHz in DMSO-d6

2-MERCAPTO-5-METHOXYBENZOTHIAZOLE(55690-60-3) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₈ H₇ N O S₂	0.038 g : 0.5 ml DMSO-d₆
5-methoxy-2-benzothiazolethiol

    Assign.     Shift(ppm)

      A             7.568
      B             6.928
      C             6.837
      D             3.803
      E             3.7

     Hz     ppm     Int.

   3029.17   7.580    187
   3020.39   7.558    197
   2774.54   6.943    107
   2771.97   6.936    115
   2765.75   6.921     98
   2763.31   6.915    109
   2733.52   6.840    180
   2731.08   6.834    157
   1520.14   3.804   1000

in DMSO-d6