369-07-3

2-硝基苯-beta-D-半乳糖苷(369-07-3)红外图谱(IR2)

分子式:C12H15NO8

分子量: 301.25

InChI:InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/s3

InChIKey: KUWPCJHYPSUOFW-IDEGKBHYNA-N

Smiles:O(C1C=CC=CC=1N(=O)=O)[C@H]1[C@@H]([C@@H](O)[C@@H](O)[C@@H](CO)O1)O |&1:10,11,12,14,16,r|

Mass

MS-NW-2266          
o-nitrophenyl beta-D-galactopyranoside
C12H15NO8           (Mass of molecular ion:    301)

   Source Temperature: 230 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      14.0       2.9
      15.0      13.5
      17.0       3.9
      18.0      18.1
      19.0      13.0
      25.0       1.0
      26.0       6.7
      27.0      21.4
      28.0      12.8
      29.0      38.4
      30.0      15.0
      31.0      34.4
      32.0       2.9
      37.0       4.5
      38.0      11.7
      39.0      44.1
      40.0       3.8
      41.0      11.4
      42.0      14.0
      43.0      36.4
      44.0      14.9
      45.0      21.8
      46.0       1.0
      47.0       4.5
      49.0       1.3
      50.0       5.4
      51.0      10.0
      52.0       5.6
      53.0      11.9
      54.0       3.0
      55.0      19.1
      56.0      13.1
      57.0      36.7
      58.0       4.5
      59.0       2.8
      60.0      49.8
      61.0      17.8
      62.0       5.9
      63.0      24.6
      64.0      23.1
      65.0      43.2
      66.0       4.3
      67.0       1.5
      68.0       3.0
      69.0      14.3
      70.0      10.2
      71.0      20.0
      72.0      11.0
      73.0      64.3
      74.0      11.5
      75.0       3.0
      76.0       1.4
      77.0       2.1
      78.0       7.6
      79.0       1.7
      80.0       3.6
      81.0      23.5
      82.0       1.6
      83.0       1.1
      84.0       2.1
      85.0      16.1
      86.0       5.6
      87.0       8.6
      88.0       1.4
      89.0       4.3
      90.0       3.5
      91.0      23.0
      92.0      10.0
      93.0      13.1
      94.0       7.0
      95.0       2.4
      96.0       2.1
      97.0       8.8
      98.0       5.9
      99.0       2.5
     101.0       4.5
     102.0       3.8
     103.0       4.0
     106.0       6.0
     109.0      25.1
     110.0       2.0
     113.0       3.5
     114.0       2.5
     115.0       3.2
     116.0       1.5
     119.0       1.3
     122.0      10.1
     123.0       7.7
     124.0       1.1
     127.0       2.4
     131.0       2.1
     132.0       1.2
     133.0       2.1
     139.0     100.0
     140.0       8.0
     144.0       4.8
     145.0       3.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₅ N O₈	0.029 g : 0.5 ml DMSO-d₆
o-nitrophenyl beta-D-galactopyranoside

    Assign.     Shift(ppm)

      A             7.846
      B             7.632
      C             7.428
      D             7.174
      E     *1      5.18
      F             5.043
      G     *1      4.93
      J             4.70
      K     *1      4.62
      L             3.711
      M             3.648
      N             3.57
      P             3.50
      Q             3.42

     Hz     ppm     Int.

   3140.75   7.859    578
   3139.16   7.855    614
   3132.69   7.839    636
   3131.10   7.835    632
   3060.06   7.657    254
   3058.47   7.653    258
   3051.27   7.635    525
   3050.05   7.632    412
   3044.19   7.618    355
   3042.48   7.613    334
   2972.41   7.438    677
   2968.38   7.428     92
   2964.36   7.418    560
   2875.24   7.195    362
   2874.27   7.192    377
   2866.94   7.174    651
   2862.92   7.164     72
   2859.74   7.156    328
   2858.89   7.154    328
   2072.75   5.187   1000
   2067.50   5.174   1000
   2019.53   5.054    785
   2011.96   5.035    806
   1972.29   4.936    913
   1966.43   4.921    929
   1881.96   4.710    422
   1876.46   4.696    967
   1870.97   4.682    449
   1849.98   4.630    820
   1845.58   4.618    815
   1486.69   3.720    375
   1483.03   3.711    571
   1479.37   3.702    372
   1464.23   3.664    241
   1458.01   3.649    540
   1452.03   3.634    376
   1447.14   3.622     60
   1446.53   3.620     60
   1442.75   3.611    201
   1437.50   3.597    246
   1433.35   3.587    454
   1427.86   3.573    536
   1425.78   3.568    369
   1422.24   3.559    498
   1420.65   3.555    398
   1416.75   3.545    549
   1411.13   3.531    325
   1408.81   3.526    359
   1403.20   3.512    414
   1396.85   3.496    327
   1392.33   3.484    207
   1388.18   3.474     59
   1385.86   3.468    128
   1374.76   3.440    289
   1371.58   3.432    275
   1368.90   3.426    306
   1365.48   3.417    424
   1362.06   3.409    243
   1359.38   3.402    253
   1355.96   3.393    323

KBr disc