362-43-6

2',3'-異丙基脲(362-43-6)Raman光譜

分子式:C12H16N2O6

分子量: 284.27

InChI:InChI=1S/C12H16N2O6/c1-12(2)19-8-6(5-15)18-10(9(8)20-12)14-4-3-7(16)13-11(14)17/h3-4,6,8-10,15H,5H2,1-2H3,(H,13,16,17)/t6-,8-,9-,10-/m1/s1

InChIKey: GFDUSNQQMOENLR-PEBGCTIMSA-N

Smiles:OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@@H]2OC(O[C@H]12)(C)C

Mass

MS-NW-6931          
2',3'-O-isopropylideneuridine
C12H16N2O6          (Mass of molecular ion:    284)

   Source Temperature: 220 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       3.8
      18.0       2.2
      26.0       3.9
      27.0       7.9
      28.0      10.6
      29.0       8.6
      31.0      16.8
      39.0      11.0
      40.0       9.3
      41.0      21.5
      42.0      10.5
      43.0      65.5
      44.0       5.1
      45.0       3.8
      52.0       2.1
      53.0       5.7
      54.0       7.3
      55.0      13.9
      56.0       3.5
      57.0      36.2
      58.0       6.2
      59.0     100.0
      60.0       4.2
      61.0       1.6
      67.0       7.6
      68.0      65.8
      69.0      48.8
      70.0      13.2
      71.0      34.8
      72.0       1.8
      73.0      14.1
      76.5       1.3
      80.0       2.1
      81.0       3.0
      82.0       5.7
      83.0       4.0
      84.0      11.9
      85.0      26.8
      86.0      18.8
      87.0       4.1
      89.0       1.1
      94.0       1.5
      95.0      13.6
      96.0       9.4
      97.0       9.7
      97.5       1.0
      98.0      10.7
      99.0       1.5
     100.0       1.5
     101.0       8.5
     108.0       2.0
     109.0       1.3
     110.0       2.1
     111.0       1.5
     112.0      21.1
     113.0      50.8
     114.0      32.9
     115.0      17.0
     116.0       1.2
     122.0       1.3
     124.0       3.6
     125.0       2.8
     126.0      11.0
     127.0       2.2
     129.0       8.6
     136.0       5.1
     137.0      19.3
     138.0       7.1
     139.0       1.3
     141.0       8.5
     142.0       4.1
     148.0       4.3
     152.0       2.5
     153.0       1.3
     154.0       1.0
     155.0       2.9
     157.0       4.8
     166.0       2.1
     167.0      10.3
     168.0       1.1
     170.0       3.0
     172.0       3.8
     173.0      82.5
     174.0       7.8
     175.0       1.2
     179.0      14.6
     180.0       2.7
     195.0       9.5
     196.0       2.3
     209.0      13.8
     210.0       1.7
     226.0       4.3
     227.0       2.2
     253.0       4.5
     269.0      26.7
     270.0       3.9
     284.0       4.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₆ N₂ O₆	0.039 g : 0.5 ml DMSO-d₆
2',3'-O-isopropylideneuridine

    Assign.     Shift(ppm)

      A            11.4
      B             7.800
      C             5.838
      D             5.644
      E             5.10
      F             4.898
      G             4.752
      J             4.075
      K             3.58
      L     *1      1.489
      M     *1      1.291
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   4552.42  11.392    149
   3121.52   7.811    297
   3113.46   7.791    307
   2334.46   5.842    255
   2331.89   5.835    252
   2259.73   5.655    189
   2251.67   5.635    189
   2043.22   5.113     79
   2037.91   5.100    179
   2032.60   5.086     83
   1962.45   4.911    117
   1959.70   4.904    114
   1956.03   4.895    139
   1953.47   4.888    140
   1903.83   4.764    131
   1900.35   4.756    135
   1897.60   4.749    109
   1893.94   4.739    111
   1634.94   4.091     52
   1630.55   4.080    135
   1626.70   4.071    138
   1622.49   4.060     56
   1446.47   3.620     33
   1441.34   3.607     36
   1439.51   3.602     82
   1434.38   3.590    132
   1429.80   3.578    105
   1427.97   3.574    140
   1422.84   3.561     80
   1416.06   3.544     40
    595.11   1.490   1000
    515.98   1.292    954

in DMSO-d6