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Back ChemicalBook Home>CAS DataBase List>2942-06-5More Spectrum> 6-Nitrobenzothiazole(2942-06-5) IR1

2942-06-5

6-Nitrobenzothiazole(2942-06-5) IR1

Product Name6-Nitrobenzothiazole

CAS2942-06-5

Molecular FormulaC7H4N2O2S

Molecular Weight180.18

InChIInChI=1S/C7H4N2O2S/c10-9(11)5-1-2-6-7(3-5)12-4-8-6/h1-4H

InChIKey QLUFBCVWKTWKBF-UHFFFAOYSA-N

SmilesS1C2=CC([N+]([O-])=O)=CC=C2N=C1

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MS

1HNMR

IR1

IR2

  • 6-Nitrobenzothiazole(2942-06-5) IR1
    Mass 

    MS-IW-6088          
6-nitrobenzothiazole
C7H4N2O2S           (Mass of molecular ion:    180)


       Source Temperature: 130 °C
   Sample Temperature: 110 °C
   Direct, 75 eV


          45.0       1.8
      61.0       1.0
      62.0       2.9
      63.0      14.5
      64.0       1.0
      69.0       3.0
      81.0       1.7
      90.0       4.3
      95.0       1.8
     106.0       1.6
     107.0      10.6
     108.0       1.1
     122.0       5.7
     133.0       1.7
     134.0      34.1
     135.0       3.7
     136.0       1.7
     150.0      10.3
     180.0     100.0
     181.0       9.4
     182.0       5.1

  • 6-Nitrobenzothiazole(2942-06-5) IR1

KBr disc

  • 6-Nitrobenzothiazole(2942-06-5) IR1

nujol mull

  • 6-Nitrobenzothiazole(2942-06-5) IR1

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