55690-60-3

2-巯基-5-甲氧基苯并噻唑(55690-60-3)核磁图(¹³CNMR)

产品名称:2-巯基-5-甲氧基苯并噻唑

CAS:55690-60-3

分子式:C8H7NOS2

分子量: 197.28

InChI:InChI=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

Smiles:S1C2=CC=C(OC)C=C2NC1=S

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

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