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Back ChemicalBook Home>CAS DataBase List>5697-44-9More Spectrum> 4-(Methylphenyl)sulfonylacetonitrile(5697-44-9) IR2

5697-44-9

4-(Methylphenyl)sulfonylacetonitrile(5697-44-9) IR2

Product Name4-(Methylphenyl)sulfonylacetonitrile

CAS5697-44-9

Molecular FormulaC9H9NO2S

Molecular Weight195.24

InChIInChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3

InChIKey BBNNLJMGPASZPD-UHFFFAOYSA-N

SmilesC(#N)CS(C1=CC=C(C)C=C1)(=O)=O

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MS

1HNMR

13CNMR

IR1

IR2

  • 4-(Methylphenyl)sulfonylacetonitrile(5697-44-9) IR2
    Mass 

    MS-NW-2316          
tosylacetonitrile
C9H9NO2S            (Mass of molecular ion:    195)


       Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV


          39.0       7.4
      40.0       1.7
      41.0       2.4
      50.0       2.0
      51.0       3.2
      62.0       1.4
      63.0       4.9
      64.0       1.4
      65.0      18.5
      66.0       1.0
      77.0       1.5
      89.0       4.2
      90.0       2.9
      91.0     100.0
      92.0       7.6
     155.0      39.8
     156.0       3.5
     157.0       2.1
     195.0       3.4

  • 4-(Methylphenyl)sulfonylacetonitrile(5697-44-9) IR2

in CDCl3

  • 4-(Methylphenyl)sulfonylacetonitrile(5697-44-9) IR2

KBr disc

  • 4-(Methylphenyl)sulfonylacetonitrile(5697-44-9) IR2

nujol mull

  • 4-(Methylphenyl)sulfonylacetonitrile(5697-44-9) IR2

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4-(Methylphenyl)sulfonylacetonitrile(5697-44-9) IR2 Atlas of Related Products

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