4-(2-Aminoethyl)benzenesulfonamide(35303-76-5) ¹H NMR

Product Name4-(2-Aminoethyl)benzenesulfonamide

CAS 35303-76-5

Molecular FormulaC8H12N2O2S

Molecular Weight200.26

InChIInChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)

InChIKey FXNSVEQMUYPYJS-UHFFFAOYSA-N

SmilesC1(S(N)(=O)=O)=CC=C(CCN)C=C1

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Mass

MS-IW-0027          
p-(2-aminoethyl)benzenesulfonamide
C8H12N2O2S          (Mass of molecular ion:    200)

   Source Temperature: 190 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       1.3
      18.0       6.6
      28.0       4.2
      30.0     100.0
      31.0       3.8
      39.0       2.7
      50.0       1.1
      51.0       2.3
      63.0       3.0
      64.0       2.2
      65.0       3.0
      77.0       3.0
      78.0       1.1
      89.0       8.0
      90.0      28.8
      91.0       8.2
     106.0       1.6
     107.0       5.2
     117.0       1.2
     118.0       1.9
     119.0       1.1
     154.0       2.1
     171.0       1.7
     200.0       5.5
     201.0       2.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₁₂ N₂ O₂ S	0.033 g : 0.5 ml DMSO-d₆
p-(2-aminoethyl)benzenesulfonamide

    Assign.     Shift(ppm)

      A             7.741
      B             7.386
      C             4.
      D     *1      2.767
      E     *1      2.702

     Hz     ppm     Int.

   3099.98   7.757    153
   3098.14   7.753    872
   3096.31   7.748    327
   3091.55   7.736    351
   3089.72   7.732   1000
   3087.89   7.727    197
   2955.93   7.397    840
   2947.51   7.376    766
   1588.99   3.976     37
   1116.46   2.794    156
   1114.50   2.789    181
   1108.15   2.773    486
   1101.81   2.757    455
   1100.95   2.755    468
   1093.63   2.737     36
   1086.18   2.718    471
   1079.35   2.701    471
   1072.88   2.685    179
   1071.04   2.680    152

in DMSO-d6