300-39-0

3,5-二碘-L-酪氨酸(300-39-0)红外图谱(IR2)

产品名称:3,5-二碘-L-酪氨酸

CAS:300-39-0

分子式:C9H9I2NO3

分子量: 432.98

InChI:InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1

InChIKey: NYPYHUZRZVSYKL-ZETCQYMHSA-N

Smiles:C(O)(=O)[C@H](CC1=CC(I)=C(O)C(I)=C1)N

¹HNMR

IR1

IR2

Mass

MS-NW-0307          
3,5-diiodo-L-tyrosine
C9H9I2NO3 2H2O      (Mass of molecular ion:    433)

   Source Temperature: 210 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      18.0       2.0
      27.0       2.0
      28.0      11.5
      29.0       1.9
      30.0      11.2
      39.0       3.2
      41.0       4.1
      42.0       1.9
      43.0       5.0
      44.0       7.0
      46.0       3.4
      50.0       5.4
      51.0       9.9
      52.0       3.0
      52.5       1.6
      53.0       5.3
      54.0       1.5
      55.0       5.1
      56.0       1.6
      57.0       4.4
      60.0       1.2
      61.0       1.3
      62.0       2.8
      63.0       3.4
      63.5       1.2
      65.0       1.0
      66.5       1.3
      67.0       2.9
      67.5       1.5
      68.0       1.6
      69.0       4.1
      70.0       1.5
      71.0       2.3
      73.0       1.5
      74.0      48.4
      75.0       9.6
      76.0       8.5
      77.0      10.8
      78.0       6.9
      79.0       3.0
      80.0       1.6
      81.0       2.4
      82.0       2.1
      83.0       3.3
      84.0       1.3
      85.0       1.3
      89.0       1.9
      90.0       1.1
      91.0       1.5
      95.0       1.7
      96.0       1.6
      97.0       2.4
      98.0       1.5
     104.0       3.6
     105.0      11.1
     106.0      10.7
     107.0      11.0
     108.0       2.0
     109.0       1.0
     111.0       1.3
     127.0      11.7
     128.0      20.8
     130.5       1.3
     131.0       1.3
     133.0       2.9
     134.0       4.7
     135.0       2.5
     194.0       3.1
     204.0       1.1
     231.0       1.7
     232.0      12.4
     233.0      47.9
     234.0       9.5
     254.0       1.8
     260.0       1.5
     261.0       5.5
     262.0       1.9
     307.0       2.4
     358.0       1.1
     359.0     100.0
     360.0      27.5
     361.0       2.0
     387.0       3.6
     388.0       5.1
     389.0       1.0
     433.0       9.8
     434.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₉ I₂ N O₃	0.040 g : 0.5 ml DMSO-d₆
3,5-diiodo-L-tyrosine

    Assign.     Shift(ppm)

      A             7.638
      B             3.463
      C     *1      2.997
      D     *1      2.812

     Hz     ppm     Int.

   3052.73   7.639   1000
   1390.14   3.479     73
   1385.13   3.466     93
   1382.81   3.461     98
   1377.81   3.448     83
   1208.37   3.024     52
   1203.61   3.012     57
   1193.97   2.988     76
   1189.33   2.976     64
   1133.91   2.838     65
   1126.46   2.819     70
   1123.05   2.811     25
   1122.56   2.809     25
   1119.51   2.802     57
   1112.06   2.783     49

KBr disc