N-ACETYLTHIOUREA(591-08-2) Raman

Product NameN-ACETYLTHIOUREA

CAS 591-08-2

Molecular FormulaC3H6N2OS

Molecular Weight118.16

InChIInChI=1S/C3H6N2OS/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)

InChIKey IPCRBOOJBPETMF-UHFFFAOYSA-N

SmilesC(NC(N)=S)(=O)C

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Mass

MS-NW-5012          
N-acetylthiourea
C3H6N2OS            (Mass of molecular ion:    118)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      13.0       1.2
      14.0       4.6
      15.0      11.9
      16.0       2.6
      17.0       3.6
      18.0       4.1
      26.0       1.2
      27.0       4.9
      28.0       5.9
      29.0       1.2
      32.0       7.3
      33.0       2.9
      34.0       5.9
      38.0       1.0
      39.0       1.8
      40.0       4.4
      41.0       9.3
      42.0      16.0
      43.0     100.0
      44.0       8.8
      45.0       1.1
      47.0       1.0
      48.0       1.5
      58.0       2.6
      59.0      14.3
      60.0       9.9
      75.0       1.6
      76.0      34.3
      77.0       1.3
      78.0       1.6
      90.0       1.7
     118.0      53.2
     119.0       2.8
     120.0       2.8

KBr disc

nujol mull

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