15658-35-2

6,6'-DITHIODINICOTINIC ACID(15658-35-2) ¹³C NMR

Product Name6,6'-DITHIODINICOTINIC ACID

CAS 15658-35-2

Molecular FormulaC12H8N2O4S2

Molecular Weight308.33

InChIInChI=1S/C12H8N2O4S2/c15-11(16)7-1-3-9(13-5-7)19-20-10-4-2-8(6-14-10)12(17)18/h1-6H,(H,15,16)(H,17,18)

InChIKey GSASOFRDSIKDSN-UHFFFAOYSA-N

SmilesC1(C(=O)O)=CN=C(SSC2=NC=C(C(=O)O)C=C2)C=C1

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6,6'-DITHIODINICOTINIC ACID(15658-35-2) <sup>13</sup>C NMR
Mass

MS-NW-6929          
6,6'-dithiodinicotinic acid
C12H8N2O4S2         (Mass of molecular ion:    308)

   Source Temperature: 230 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      18.0       1.1
      26.0       2.0
      27.0       2.9
      28.0       4.5
      32.0       1.3
      37.0       3.7
      38.0       7.6
      39.0      23.8
      40.0       1.8
      41.0       1.1
      44.0       6.4
      45.0      16.2
      49.0       2.2
      50.0      11.9
      51.0      22.8
      52.0       7.8
      53.0       5.0
      54.0       3.1
      55.0       2.1
      57.0       7.0
      58.0       3.8
      59.0       1.6
      60.0       2.1
      63.0       1.1
      64.0       6.5
      65.0       2.1
      66.0       7.0
      67.0       9.1
      68.0       1.1
      69.0       6.0
      70.0       2.6
      71.0       3.0
      72.0       1.1
      75.0       2.4
      76.0       4.4
      77.0       4.0
      78.0      18.3
      79.0       3.1
      80.0       1.5
      81.0       6.8
      82.0      12.7
      83.0      12.8
      84.0       4.6
      85.0       2.0
      86.0       1.8
      88.0       1.0
      92.0       1.1
      93.0       1.5
      94.0      23.2
      95.0       3.4
      98.0       1.5
      99.0       1.4
     104.0       1.2
     105.0       1.5
     108.0       4.5
     109.0       8.9
     110.0      15.7
     111.0      44.8
     112.0       3.6
     120.0       2.2
     121.0       1.3
     122.0      18.4
     123.0       3.8
     126.0       1.0
     127.0       2.5
     128.0       1.2
     136.0       6.0
     137.0       2.8
     138.0       9.1
     139.0       1.8
     141.0       2.0
     154.0      16.2
     155.0     100.0
     156.0      10.9
     157.0       5.8
     169.0       1.0
     171.0       1.7
     172.0       2.5
     173.0       1.0
     183.0       3.1
     185.0       1.2
     186.0       4.7
     187.0       1.8
     188.0       1.3
     198.0       2.3
     199.0       6.5
     200.0       5.3
     214.0       1.6
     215.0       1.2
     226.0       1.9
     227.0      11.1
     228.0       2.0
     229.0       2.1
     231.0       1.9
     242.0       1.5
     243.0      11.6
     244.0      10.7
     245.0       1.6
     256.0       1.2
     263.0       1.3
     274.0       3.0
     275.0      16.1
     276.0       5.0
     277.0       1.5
     291.0       1.0
     306.0       1.3
     307.0      18.2
     308.0      72.7
     309.0      13.7
     310.0       8.7
     311.0       1.3