27655-40-9

5-异喹啉磺酸(27655-40-9)红外图谱(IR2)

产品名称:5-异喹啉磺酸

CAS:27655-40-9

分子式:C9H7NO3S

分子量: 209.22

InChI:InChI=1S/C9H7NO3S/c11-14(12,13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H,(H,11,12,13)

InChIKey: YFMJTLUPSMCTOQ-UHFFFAOYSA-N

Smiles:C1C2=C(C(S(O)(=O)=O)=CC=C2)C=CN=1

IR1

IR2

Mass

MS-IW-7561          
5-isoquinolinesulfonic acid
C9H7NO3S            (Mass of molecular ion:    209)

   Source Temperature: 200 °C
   Sample Temperature: 320 °C
   Direct, 75 eV

      17.0       3.5
      18.0      17.2
      26.0       2.6
      27.0       4.7
      28.0      38.6
      32.0       1.4
      34.0       2.0
      37.0       1.2
      38.0       1.8
      39.0       5.0
      41.0       1.4
      43.0       1.0
      44.0       4.9
      45.0       1.2
      48.0       7.7
      49.0       1.5
      50.0      10.7
      51.0      18.6
      52.0       3.0
      55.0       1.2
      61.0       1.7
      62.0       4.6
      63.0       8.8
      64.0      26.1
      64.5       1.5
      65.0       3.0
      66.0       2.7
      67.0       1.5
      69.0       2.3
      73.0       1.4
      74.0      13.2
      75.0      25.3
      76.0       7.6
      77.0      24.6
      78.0       5.1
      80.0       1.5
      80.5       1.8
      82.0       1.2
      86.0       1.0
      87.0       1.7
      88.0       1.9
      89.0      14.3
      90.0      19.3
      91.0       2.8
      92.0       1.8
      93.0       1.8
      94.0       2.6
      98.0       3.1
      99.0       3.0
     100.0       5.5
     101.0      33.5
     102.0      15.9
     103.0       4.3
     104.0       1.6
     108.0       2.6
     109.0       1.4
     110.0       3.6
     114.0       1.0
     115.0       1.6
     116.0      41.8
     117.0      39.5
     118.0       4.5
     126.0       1.0
     127.0       8.2
     128.0      36.6
     129.0      42.5
     130.0       4.7
     133.0       3.1
     134.0       6.9
     135.0       1.7
     136.0       2.8
     140.0       5.6
     141.0       6.0
     144.0      17.6
     145.0      14.9
     146.0       1.7
     158.0       1.1
     159.0       1.7
     160.0       4.1
     161.0      25.6
     162.0       3.3
     163.0       1.6
     176.0       1.1
     209.0     100.0
     210.0      11.2
     211.0       5.7
     233.0       2.2
     255.0       1.1

KBr disc