噻唑偶氮苯二酚(2246-46-0)核磁圖(¹HNMR)

產(chǎn)品名稱:噻唑偶氮苯二酚

CAS:2246-46-0

分子式:C9H7N3O2S

分子量: 221.24

InChI:InChI=1S/C9H7N3O2S/c13-6-1-2-7(8(14)5-6)11-12-9-10-3-4-15-9/h1-5,13-14H

InChIKey: SHNIKUXMZFPPCS-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(N=NC2=NC=CS2)C(O)=C1

Mass

MS-NW-7144          
4-(2-thiazolylazo)resorcinol
C9H7N3O2S           (Mass of molecular ion:    221)

   Source Temperature: 190 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.3
      18.0       5.2
      26.0       4.1
      27.0      12.9
      28.0       7.7
      29.0       4.1
      31.0       1.2
      32.0       1.1
      37.0       1.9
      38.0       4.8
      39.0      23.3
      40.0       5.9
      41.0       5.6
      42.0       5.2
      43.0       2.1
      44.0       2.0
      45.0      18.7
      46.0       2.4
      47.0       1.1
      50.0       5.2
      51.0      11.8
      52.0      21.5
      53.0      26.6
      54.0       4.6
      55.0      20.8
      56.0       1.0
      57.0       8.2
      58.0      23.4
      59.0       5.7
      60.0       1.6
      61.0       1.0
      62.0       1.6
      63.0       6.2
      64.0       1.8
      65.0       2.7
      66.0       4.6
      67.0       5.3
      68.0       6.4
      69.0      32.0
      70.0       2.6
      71.0       2.5
      73.0       2.7
      76.0       1.6
      77.0       2.6
      78.0       2.8
      79.0       6.2
      80.0      20.2
      81.0      57.3
      82.0       4.0
      82.5       1.0
      83.0       1.4
      84.0       3.4
      85.0       6.7
      86.0      12.0
      87.0       1.1
      92.0       1.3
      93.0       2.2
      94.0       2.0
      95.0       9.9
      96.0       1.7
      98.0       1.2
      99.0       2.8
     100.0       9.8
     101.0       1.3
     104.0       1.2
     108.0       6.3
     109.0     100.0
     110.0       8.1
     110.5       2.5
     111.0       1.4
     112.0       1.3
     120.0      11.0
     121.0       1.8
     122.0       5.3
     123.0       2.6
     124.0       1.7
     125.0       1.9
     126.0       1.4
     132.0       1.9
     135.0       2.1
     136.0      10.2
     137.0      38.1
     138.0       3.8
     139.0       1.2
     148.0       3.7
     152.0       2.5
     164.0       3.1
     165.0      10.9
     166.0       1.5
     167.0       2.5
     176.0       1.1
     178.0       1.3
     192.0       9.1
     193.0      52.2
     194.0       6.6
     195.0       3.3
     220.0       2.1
     221.0      82.2
     222.0      10.5
     223.0       5.2
     243.0       2.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₇ N₃ O₂ S	0.040 g : 0.5 ml DMSO-d₆
4-(2-thiazolylazo)resorcinol

    Assign.     Shift(ppm)

      A     *1     11.4
      B     *1     11.0
      C             7.999
      D             7.763
      E             7.708
      F             6.536
      G             6.495

     Hz     ppm     Int.

   4564.69  11.422    155
   4380.79  10.962     75
   3201.02   8.010     43
   3198.45   8.004    857
   3195.16   7.995    855
   3107.60   7.776     37
   3104.31   7.768   1000
   3101.01   7.760    881
   3098.81   7.754     34
   3085.26   7.720    639
   3082.14   7.713     26
   3081.41   7.711     25
   3076.28   7.698    657
   2618.00   6.551    336
   2615.43   6.545    385
   2609.02   6.529    292
   2606.64   6.523    434
   2602.25   6.512     32
   2597.12   6.499    724
   2594.55   6.493    519

in DMSO-d6