3-BENZYLRHODANINE(10574-69-3) ¹³C NMR

Product Name3-BENZYLRHODANINE

CAS 10574-69-3

Molecular FormulaC10H9NOS2

Molecular Weight223.31

InChIInChI=1S/C10H9NOS2/c12-9-7-14-10(13)11(9)6-8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey ZFHVUMCTGGAWBM-UHFFFAOYSA-N

SmilesS1CC(=O)N(CC2=CC=CC=C2)C1=S

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Mass

MS-IW-6147          
3-benzyl-2-thioxo-4-thiazolidinone
C10H9NOS2           (Mass of molecular ion:    223)

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

      39.0       5.1
      41.0       1.4
      45.0       2.9
      46.0       2.1
      50.0       1.4
      51.0       3.8
      63.0       3.8
      64.0       1.3
      65.0      14.4
      72.0       1.0
      77.0       2.9
      83.0       1.4
      89.0       5.1
      90.0       2.7
      91.0      71.7
      92.0       5.7
      97.5       2.5
     104.0       8.1
     105.0       2.1
     116.0       3.1
     117.0       1.9
     118.0       1.5
     121.0       4.0
     122.0       1.9
     123.0       1.8
     135.0       1.3
     136.0       1.5
     146.0       8.9
     147.0       8.8
     148.0      68.2
     149.0      13.1
     150.0       4.4
     181.0       1.2
     223.0     100.0
     224.0      13.0
     225.0       9.8
     226.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₉ N O S₂	0.040 g : 0.5 ml CDCl₃
3-benzyl-2-thioxo-4-thiazolidinone

    Assign.     Shift(ppm)

      A             7.419
      B          7.30 to 7.28
      C             5.164
      D             3.934

     Hz     ppm     Int.

   2970.95   7.434    104
   2968.75   7.429     92
   2966.80   7.424     53
   2966.19   7.422     45
   2965.33   7.420     61
   2964.60   7.418     76
   2963.50   7.416    107
   2962.89   7.414    151
   2961.30   7.410    144
   2926.76   7.324     38
   2923.22   7.315     51
   2921.14   7.310     41
   2918.46   7.303    155
   2917.72   7.301    159
   2916.14   7.297     88
   2913.57   7.291    111
   2912.60   7.288    127
   2911.25   7.285    223
   2910.52   7.283    226
   2909.42   7.280    123
   2907.59   7.276     32
   2905.88   7.272     47
   2904.54   7.268     40
   2063.72   5.164    495
   1572.39   3.935   1000

in CDCl3