2637-37-8

2-硫代喹啉(2637-37-8)红外图谱(IR2)

产品名称:2-硫代喹啉

CAS:2637-37-8

分子式:C9H7NS

分子量: 161.22

InChI:InChI=1S/C9H7NS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)

InChIKey: KXZSVYHFYHTNBI-UHFFFAOYSA-N

Smiles:N1C2=C(C=CC=C2)C=CC1=S

Mass

MS-NW-7193          
2-quinolinethiol
C9H7NS              (Mass of molecular ion:    161)

   Source Temperature: 160 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       1.1
      18.0       4.5
      26.0       1.5
      27.0       3.0
      28.0       2.5
      32.0       1.4
      37.0       4.0
      38.0       5.6
      39.0      11.1
      40.0       1.1
      44.0       1.2
      45.0       6.8
      49.0       1.7
      50.0      12.1
      51.0      16.1
      52.0       5.7
      53.0       1.0
      54.0       1.0
      57.0       2.3
      58.0       2.0
      58.5       2.9
      61.0       3.8
      62.0       6.9
      63.0      14.1
      64.0       4.8
      65.0       2.1
      66.0       1.5
      66.5       1.0
      67.0       3.1
      69.0       7.9
      70.0       1.5
      73.0       1.6
      74.0       7.6
      75.0      15.2
      76.0       7.6
      77.0      12.4
      78.0       1.9
      79.5       1.0
      80.0       2.8
      80.5       4.8
      81.0       1.7
      82.0       2.4
      86.0       1.4
      87.0       2.0
      88.0       2.3
      89.0      21.6
      90.0      12.8
      91.0       1.5
      93.0       2.4
      95.0       1.1
      98.0       1.4
      99.0       1.4
     100.0       1.9
     101.0      20.5
     102.0       8.0
     103.0       1.5
     106.0       1.0
     107.0       1.0
     108.0       1.1
     114.0       1.2
     115.0       1.2
     116.0       9.4
     117.0      30.6
     118.0       3.1
     127.0       2.7
     128.0      77.6
     129.0       9.9
     132.0       1.1
     133.0       4.7
     134.0       2.2
     145.0       4.4
     159.0       1.8
     160.0       6.1
     161.0     100.0
     162.0      11.6
     163.0       5.1

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₇ N S	0.041 g : 0.5 ml CDCl₃
2-quinolinethiol

    Assign.     Shift(ppm)

      A            13.47
      B             7.69
      C             7.68
      D             7.624
      E             7.570
      F             7.478
      G             7.330
     
     J(C,F)=9.0HZ.
     90MHZ. : HSP-04-771

     Hz     ppm     Int.

   5383.05  13.470     93
   3079.35   7.706    354
   3070.80   7.684   1000
   3065.92   7.672     67
   3061.77   7.662    580
   3057.62   7.651     52
   3056.15   7.648     48
   3051.51   7.636    337
   3050.54   7.634    372
   3043.46   7.616    375
   3042.48   7.613    422
   3038.57   7.604     39
   3037.11   7.600     38
   3033.20   7.590    263
   3031.74   7.586    235
   3025.88   7.572    325
   3024.90   7.569    386
   3021.73   7.561     60
   3019.78   7.557     64
   3017.82   7.552    204
   3016.36   7.548    187
   2992.68   7.489    647
   2983.64   7.466    518
   2937.01   7.349    274
   2936.04   7.347    278
   2928.96   7.329    436
   2921.88   7.312    203
   2920.90   7.309    191

¹H NMR	89.56 MHz
C₉ H₇ N S	0.038 g : 0.5 ml CDCl₃
2-quinolinethiol

    Assign.     Shift(ppm)

      A            13.4
      B          7.76 to 7.43
      C             7.31
     
     400MHZ. : HSP-41-753

     Hz     ppm     Int.

   1199.90  13.398     55
    696.88   7.782     69
    692.48   7.733    357
    686.62   7.667    791
    685.16   7.651    703
    683.50   7.632   1000
    679.49   7.587    668
    678.22   7.573    721
    673.14   7.517    827
    670.51   7.487    245
    668.65   7.466    167
    666.11   7.438    141
    663.96   7.414    405
    663.18   7.405    400
    661.23   7.384    291
    659.28   7.362     99
    656.05   7.326    269
    654.69   7.311    202
    653.71   7.300    203
    652.73   7.289    171
    648.83   7.245    111
    647.17   7.227    106
    645.51   7.208     34

KBr disc