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16024-82-1

2-异硫氰基苯甲酸甲酯(16024-82-1)红外图谱(IR1)

分子式:C9H7NO2S

分子量: 193.22

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

InChIKey: UNXVHBOJSCWVCD-UHFFFAOYSA-N

Smiles:C(OC)(=O)C1=CC=CC=C1N=C=S

  • 图谱
    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

  • 图谱

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