1091-85-6

丹磺酰甘氨酸(1091-85-6)红外图谱(IR1)

产品名称:丹磺酰甘氨酸

CAS:1091-85-6

分子式:C14H16N2O4S

分子量: 308.35

InChI:InChI=1S/C14H16N2O4S/c1-16(2)12-7-3-6-11-10(12)5-4-8-13(11)21(19,20)15-9-14(17)18/h3-8,15H,9H2,1-2H3,(H,17,18)

InChIKey: QHFXORCWAQTTGH-UHFFFAOYSA-N

Smiles:C(O)(=O)CNS(C1=C2C(C(N(C)C)=CC=C2)=CC=C1)(=O)=O

¹HNMR

IR1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₄ H₁₆ N₂ O₄ S	0.041 g : 0.5 ml DMSO-d₆
dansylglycine

    Assign.     Shift(ppm)

      A            12.7
      B             8.456
      C             8.40
      D             8.315
      E             8.131
      F             7.608
      G             7.596
      J             7.250
      K             3.638
      L             2.821

     Hz     ppm     Int.

   3384.00   8.468     65
   3375.58   8.447     69
   3364.22   8.418     31
   3358.17   8.403     64
   3352.13   8.388     31
   3327.59   8.327     70
   3318.98   8.305     76
   3254.14   8.143     63
   3253.22   8.141     70
   3246.99   8.125     71
   3245.89   8.122     74
   3048.81   7.629     58
   3043.86   7.617     57
   3041.48   7.611     71
   3040.38   7.608     75
   3036.17   7.598     74
   3035.44   7.596     74
   3033.05   7.590     62
   3027.56   7.576     56
   2901.17   7.260     81
   2893.66   7.241     73
   1457.27   3.647    138
   1451.23   3.632    140
   1127.57   2.822   1000

KBr disc