139-05-9

環(huán)己基氨基磺酸鈉(139-05-9)紅外圖譜(IR1)

產(chǎn)品名稱:環(huán)己基氨基磺酸鈉

CAS:139-05-9

分子式:C6H14NNaO3S

分子量: 203.23

InChI:InChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1

InChIKey: UDIPTWFVPPPURJ-UHFFFAOYSA-M

Smiles:C1(CCCCC1)NS(=O)(=O)[O-].[Na+]

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₁₂ N Na O₃ S	saturated in DMSO-d₆
sodium cyclohexylsulfamate

    Assign.     Shift(ppm)

      A             4.02
      B             2.967
      C             1.897
      D             1.614
      E             1.494
      F             1.195
      G             1.05
     
     ASSIGNED BY H-H COSY

     Hz     ppm     Int.

   1619.75   4.053     30
   1619.14   4.052     35
   1618.77   4.051     37
   1618.29   4.050     41
   1617.55   4.048     45
   1610.23   4.030    726
   1604.37   4.015    723
   1597.78   3.998     46
   1597.41   3.998     45
   1596.44   3.995     36
   1595.46   3.993     30
   1595.21   3.992     30
   1158.20   2.899    299
   1154.30   2.889    372
   1152.22   2.884    297
   1151.73   2.882    299
   1150.63   2.880    275
   1150.02   2.878    271
   1148.32   2.874    396
   1144.04   2.863    303
    764.04   1.912    637
    754.27   1.888    658
    657.10   1.645    452
    656.86   1.644    452
    653.32   1.635    629
    652.95   1.634    629
    649.29   1.625    556
    644.17   1.612    624
    640.38   1.603    777
    637.94   1.597    542
    637.57   1.596    547
    637.21   1.595    545
    604.61   1.513    325
    600.71   1.504    280
    600.22   1.502    275
    596.68   1.494    307
    595.83   1.491    301
    595.46   1.490    301
    592.41   1.483    367
    490.60   1.228    205
    481.93   1.206    393
    478.64   1.198    634
    469.36   1.175    509
    466.80   1.169    795
    463.99   1.161    523
    457.03   1.144    320
    454.22   1.137    529
    451.54   1.130    330
    448.61   1.123     97
    446.17   1.117    206
    445.56   1.115    205
    443.24   1.110    342
    440.43   1.103    225
    431.76   1.081    775
    430.05   1.077    536
    429.57   1.075    552
    429.08   1.074    555
    419.92   1.051   1000
    408.57   1.023    631
    407.23   1.019    656
    397.95   0.996    215
    397.58   0.995    212
    394.41   0.987    206

in DMSO-d6