2420-17-9

对羟基苯海因(2420-17-9)核磁图(¹³CNMR)

产品名称:对羟基苯海因

CAS:2420-17-9

分子式:C9H8N2O3

分子量: 192.17

InChI:InChI=1S/C9H8N2O3/c12-6-3-1-5(2-4-6)7-8(13)11-9(14)10-7/h1-4,7,12H,(H2,10,11,13,14)

InChIKey: UMTNMIARZPDSDI-UHFFFAOYSA-N

Smiles:C1(=O)NC(C2=CC=C(O)C=C2)C(=O)N1

Mass

MS2016-05345CW      
5-(p-hydroxyphenyl)-2,4-imidazolidinedione
C9H8N2O3            (Mass of molecular ion:    192)

   Source Temperature: 250 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      28.0       3.1
      38.0       1.5
      39.0       7.0
      50.0       1.9
      51.0       3.4
      52.0       1.5
      53.0       1.5
      62.0       1.2
      63.0       3.0
      64.0       2.1
      65.0      13.7
      66.0       2.5
      70.0       1.9
      76.0       1.0
      77.0       3.3
      78.0       1.6
      91.0       1.3
      92.0       2.8
      93.0       5.3
      94.0       6.1
     105.0       1.7
     119.0       2.7
     120.0     100.0
     121.0      68.0
     122.0       5.5
     147.0       2.5
     148.0       4.0
     149.0       4.3
     163.0      13.1
     164.0      22.0
     165.0       2.2
     192.0      84.8
     193.0       9.2
     194.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₈ N₂ O₃	0.040 g : 0.5 ml DMSO-d₆
5-(p-hydroxyphenyl)-2,4-imidazolidinedione

    Assign.     Shift(ppm)

      A     *1     10.7
      B     *1      9.52
      C     *1      8.28
      D             7.111
      E             6.779
      F             5.014

     Hz     ppm     Int.

   4276.20  10.700    298
   3804.73   9.521    674
   3310.37   8.284    461
   2849.15   7.130    110
   2846.41   7.123    768
   2844.58   7.118    287
   2839.81   7.106    294
   2837.98   7.102    862
   2835.23   7.095    119
   2716.36   6.797    136
   2713.61   6.790   1000
   2711.60   6.785    323
   2707.02   6.774    302
   2705.00   6.769    902
   2702.07   6.762    109
   2003.84   5.014    665

in DMSO-d6