16024-82-1

Methyl 2-isothiocyanatobenzoate(16024-82-1) MS

Product NameMethyl 2-isothiocyanatobenzoate

CAS 16024-82-1

Molecular FormulaC9H7NO2S

Molecular Weight193.22

InChIInChI=1S/C9H7NO2S/c1-12-9(11)7-4-2-3-5-8(7)10-6-13/h2-5H,1H3

InChIKey UNXVHBOJSCWVCD-UHFFFAOYSA-N

SmilesC(OC)(=O)C1=CC=CC=C1N=C=S

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IR1

Methyl 2-isothiocyanatobenzoate(16024-82-1) MS
Mass

MS2001-00814WA      
2-isothiocyanatobenzoic acid methyl ester
C9H7NO2S            (Mass of molecular ion:    193)

   Source Temperature: 300 °C
   Sample Temperature: 260 °C
   Reservoir, 70 eV

      15.0       1.2
      28.0       1.0
      38.0       1.1
      39.0       2.9
      44.0       1.4
      50.0       6.1
      51.0       2.2
      62.0       1.2
      63.0       5.5
      64.0       4.0
      69.0       1.0
      74.0       3.3
      75.0       5.3
      76.0       4.3
      77.0       1.9
      81.0       1.9
      90.0      15.2
      91.0       1.6
      92.0       1.1
     102.0       2.7
     104.0       1.3
     107.0       3.8
     108.0       2.4
     119.0       2.4
     130.0       2.3
     133.0       2.3
     134.0      38.5
     135.0       9.5
     136.0       3.1
     146.0       8.7
     147.0       1.7
     148.0       1.0
     150.0       1.1
     162.0     100.0
     163.0      12.3
     164.0       6.4
     165.0       4.5
     177.0       3.4
     192.0       1.2
     193.0      74.8
     194.0       8.1
     195.0       4.0

Liquid film