5-nitrothiophen-2-ylmethylene diacetate(14289-24-8) MS

Product Name5-nitrothiophen-2-ylmethylene diacetate

CAS 14289-24-8

Molecular FormulaC9H9NO6S

Molecular Weight259.24

InChIInChI=1S/C9H9NO6S/c1-5(11)15-9(16-6(2)12)7-3-4-8(17-7)10(13)14/h3-4,9H,1-2H3

InChIKey QYESFCLSVSNRTN-UHFFFAOYSA-N

SmilesC(OC(=O)C)(OC(=O)C)C1SC([N+]([O-])=O)=CC=1

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IR1

IR2

Mass

MS-KW-0658          
5-nitro-2-thenylidene diacetate
C9H9NO6S            (Mass of molecular ion:    259)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       2.2
      28.0       1.0
      30.0       1.0
      39.0       5.1
      42.0       1.8
      43.0     100.0
      44.0       2.4
      45.0       2.2
      57.0       1.2
      71.0       1.4
      82.0       1.6
      98.0       2.6
      99.0       1.1
     110.0       2.7
     112.0       2.0
     129.0       1.8
     140.0       2.4
     141.0       2.0
     146.0       1.9
     156.0       6.6
     157.0      27.9
     158.0       4.6
     159.0       1.7
     188.0       1.5
     199.0       4.4
     200.0       2.2
     216.0       1.4
     217.0       2.5
     259.0       1.2

KBr disc

nujol mull

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