3-(5-nitrothiophen-2-yl)acrylic acid(17163-22-3) IR1

Product Name3-(5-nitrothiophen-2-yl)acrylic acid

CAS 17163-22-3

Molecular FormulaC7H5NO4S

Molecular Weight199.18

InChIInChI=1S/C7H5NO4S/c9-7(10)4-2-5-1-3-6(13-5)8(11)12/h1-4H,(H,9,10)

InChIKey IIJCRPJUZLOCIE-UHFFFAOYSA-N

SmilesC(O)(=O)C=CC1SC([N+]([O-])=O)=CC=1

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IR1

IR2

Mass

MS-KW-0653          
5-nitro-2-thiopheneacrylic acid
C7H5NO4S            (Mass of molecular ion:    199)

   Source Temperature: 170 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      17.0       3.3
      18.0      16.3
      26.0       1.6
      27.0       5.2
      28.0       7.9
      29.0       1.3
      30.0       6.0
      32.0       1.1
      37.0       2.0
      38.0       4.7
      39.0      11.8
      41.0       1.6
      42.0       1.1
      43.0       1.5
      44.0      19.7
      45.0      22.0
      46.0       1.1
      47.0       1.1
      49.0       1.2
      50.0       4.5
      51.0       7.3
      52.0       2.3
      53.0      13.6
      54.0       2.1
      55.0       4.1
      57.0       7.2
      58.0       4.9
      59.0       2.6
      60.0       1.4
      61.0       2.5
      62.0       4.5
      63.0      19.4
      64.0       4.7
      65.0       9.1
      68.0       1.5
      69.0      20.2
      70.0       4.4
      71.0       3.9
      74.0       1.5
      75.0       1.3
      76.0       1.1
      77.0       2.3
      79.0       3.9
      80.0       1.5
      81.0      10.1
      82.0      10.6
      83.0       2.2
      84.0       1.5
      85.0      11.8
      87.0       1.7
      92.0       1.0
      93.0       2.7
      95.0       3.7
      96.0       5.7
      97.0      22.5
      98.0       2.8
      99.0       1.9
     105.0       1.1
     106.0       2.0
     107.0       5.9
     108.0      10.7
     109.0       3.1
     110.0       1.1
     111.0       1.0
     112.0       1.3
     113.0       2.2
     120.0       3.1
     121.0       5.1
     122.0       1.0
     123.0       4.3
     124.0       3.2
     125.0      12.7
     126.0       1.7
     127.0       1.3
     135.0       4.8
     136.0       3.8
     137.0       2.2
     141.0       1.0
     151.0       3.2
     152.0       3.9
     153.0     100.0
     154.0       9.2
     155.0       5.8
     156.0       1.0
     157.0       1.1
     167.0       1.8
     169.0       1.3
     182.0       8.2
     183.0       2.7
     199.0      70.3
     200.0       6.7
     201.0       4.2

KBr disc

nujol mull

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