16851-72-2

N-(对甲苯磺酰)-3-吡咯啉(16851-72-2)红外图谱(IR1)

产品名称:N-(对甲苯磺酰)-3-吡咯啉

CAS:16851-72-2

分子式:C11H13NO2S

分子量: 223.29

InChI:InChI=1S/C11H13NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-7H,8-9H2,1H3

InChIKey: UNYMIBRUQCUASP-UHFFFAOYSA-N

Smiles:N1(S(C2=CC=C(C)C=C2)(=O)=O)CC=CC1

Mass

MS-IW-9069          
1-(p-tolylsulfonyl)-3-pyrroline
C11H13NO2S          (Mass of molecular ion:    223)

   Source Temperature: 150 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      27.0       1.0
      28.0       3.1
      39.0      11.3
      40.0       2.2
      41.0      19.9
      42.0       2.3
      50.0       1.1
      51.0       2.3
      63.0       3.5
      64.0       1.1
      65.0      15.6
      66.0       1.1
      67.0       7.6
      68.0     100.0
      69.0       5.0
      77.0       1.2
      89.0       3.5
      90.0       2.1
      91.0      72.6
      92.0      14.3
      93.0       1.0
     107.0       1.4
     108.0       1.3
     139.0       2.5
     155.0      31.0
     156.0       3.4
     157.0       1.9
     158.0       1.8
     222.0       8.9
     223.0      31.4
     224.0       4.8
     225.0       1.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₁₃ N O₂ S	0.036 g : 0.5 ml DMSO-d₆
1-(p-tolylsulfonyl)-3-pyrroline

    Assign.     Shift(ppm)

      A             7.715
      B             7.435
      C             5.710
      D             4.015
      E             2.393

     Hz     ppm     Int.

   3089.97   7.732     39
   3088.01   7.727    240
   3086.43   7.723     89
   3081.54   7.711     94
   3079.83   7.707    291
   3077.88   7.702     51
   2975.59   7.446    215
   2967.65   7.426    186
   2967.04   7.425    180
   2286.50   5.722     40
   2282.23   5.711    460
   2277.71   5.700     39
   1609.01   4.027     57
   1604.74   4.016   1000
   1600.34   4.005     54
    956.67   2.394    706

in DMSO-d6