41840-28-2

S-Boc-2-巯基-4,6-二甲基嘧啶(41840-28-2)质谱(MS)

产品名称:S-Boc-2-巯基-4,6-二甲基嘧啶

CAS:41840-28-2

分子式:C11H16N2O2S

分子量: 240.32

InChI:InChI=1S/C11H16N2O2S/c1-7-6-8(2)13-9(12-7)16-10(14)15-11(3,4)5/h6H,1-5H3

InChIKey: POTDIELOEHTPJN-UHFFFAOYSA-N

Smiles:C(SC1=NC(C)=CC(C)=N1)(=O)OC(C)(C)C

Mass

MS-IW-2313          
O-tert-butyl S-(4,6-dimethyl-2-pyrimidinyl) thiocarbonate
C11H16N2O2S         (Mass of molecular ion:    240)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.7
      26.0       1.5
      27.0       7.4
      28.0       7.6
      29.0      11.4
      31.0       1.3
      37.0       1.9
      38.0       4.4
      39.0      35.8
      40.0       8.6
      41.0      61.9
      42.0      15.8
      43.0       3.2
      44.0      43.4
      45.0       1.9
      50.0       3.1
      51.0       3.4
      52.0       2.0
      53.0       5.2
      54.0       2.0
      55.0      12.0
      56.0      28.0
      57.0      88.7
      58.0       4.7
      59.0       6.3
      60.0       4.8
      64.0       1.1
      65.0       1.8
      66.0       9.8
      67.0      13.2
      70.0       1.4
      71.0       1.1
      72.0       5.1
      80.0       2.8
      81.0       1.9
      82.0      38.2
      83.0       2.7
      84.0       1.4
      85.0       1.0
      95.0       1.2
      96.0       2.5
      98.0       2.8
      99.0       1.1
     107.0      12.3
     108.0       2.0
     112.0       1.2
     113.0       1.2
     123.0       1.5
     124.0       1.2
     125.0      16.5
     126.0       1.2
     139.0       4.4
     140.0     100.0
     141.0      15.3
     142.0       6.0
     167.0       4.2
     196.0       1.1

parameter in CDCl3

¹H NMR	300 MHz
C₁₁ H₁₆ N₂ O₂ S	0.049 g : 0.5 ml CDCl₃
o-tert-butyl S-(4,6-dimethyl-2-pyrimidinyl) thiocarbonate

    Parameter     ppm  Hz

      D(A)         6.973
      D(B)         2.511
       J(A,B)          0.5
     
      D(C)         1.516

     Hz     ppm     Int.

   2091.97   6.973     58
    753.52   2.512    466
    753.16   2.511    466
    454.82   1.516   1000

in CDCl3

KBr disc

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