Methabenzthiazuron(18691-97-9) ¹H NMR

Product NameMethabenzthiazuron

CAS 18691-97-9

Molecular FormulaC10H11N3OS

Molecular Weight221.28

InChIInChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)

InChIKey RRVIAQKBTUQODI-UHFFFAOYSA-N

SmilesN(C1=NC2=CC=CC=C2S1)(C)C(NC)=O

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Mass

MS2001-00749WA      
methabenzthiazuron
C10H11N3OS          (Mass of molecular ion:    221)

   Source Temperature: 205 °C
   Sample Temperature:  25 °C
   Direct, 70 eV

      15.0       3.2
      28.0       2.0
      30.0       7.0
      39.0       2.0
      42.0       1.5
      45.0       3.6
      50.0       1.1
      51.0       1.9
      52.0       1.0
      55.0       1.0
      58.0       5.9
      63.0       3.2
      64.0       1.4
      65.0       2.4
      69.0       6.0
      70.0       2.0
      77.0       1.7
      78.0       3.5
      82.0       2.5
      90.0       2.2
      91.0       1.7
      95.0       2.6
      96.0       9.0
      97.0       1.0
     105.0       1.8
     108.0       9.4
     109.0       7.4
     119.0       1.2
     122.0       4.5
     123.0       2.1
     134.0       1.6
     135.0      42.8
     136.0      46.8
     137.0       5.7
     138.0       2.2
     149.0       1.1
     150.0       1.4
     163.0      33.3
     164.0     100.0
     165.0      11.2
     166.0       4.7
     221.0       9.3
     222.0       1.5

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