4630-62-0

苯基-Α-D-吡喃葡萄糖苷(4630-62-0)核磁图(¹³CNMR)

产品名称:苯基-Α-D-吡喃葡萄糖苷

CAS:4630-62-0

分子式:C12H16O6

分子量: 256.25

InChI:InChI=1/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12+/s3

InChIKey: NEZJDVYDSZTRFS-VEBVXGAWNA-N

Smiles:[C@H]1(OC2C=CC=CC=2)O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO |&1:0,9,10,12,14,r|

¹HNMR

¹³CNMR

400 MHz in D2O

¹H NMR	399.65 MHz
C₁₂ H₁₆ O₆	0.029 g : 0.5 ml D₂O
phenyl alpha-D-glucopyranoside

    Assign.     Shift(ppm)

      A             7.414
      B             7.204
      C             7.158
      D             5.661
      E             3.958
      F             3.80
      J             3.74
      K             3.541

     Hz     ppm     Int.

   2974.00   7.442     70
   2971.80   7.437    327
   2969.85   7.432    145
   2964.48   7.418    506
   2963.26   7.415    565
   2957.76   7.401    177
   2955.81   7.396    458
   2953.37   7.390     75
   2883.67   7.216    481
   2882.69   7.214    670
   2874.88   7.194    509
   2873.90   7.192    485
   2867.31   7.175    217
   2864.26   7.167     42
   2863.40   7.165     44
   2859.99   7.157    358
   2853.64   7.141    102
   2852.66   7.138    159
   2264.40   5.666    447
   2260.62   5.657    445
   1592.16   3.984    212
   1582.64   3.961    401
   1573.24   3.937    296
   1525.63   3.818     78
   1522.83   3.811    112
   1521.36   3.807    153
   1518.55   3.800    149
   1515.01   3.791    127
   1514.77   3.791    127
   1513.92   3.789    141
   1513.67   3.788    141
   1511.11   3.782    208
   1508.91   3.776    304
   1505.13   3.767   1000
   1502.93   3.761    710
   1500.24   3.754    370
   1499.15   3.752    423
   1492.92   3.736    276
   1489.26   3.727    253
   1423.71   3.563    284
   1414.31   3.539    393
   1404.79   3.516    193

in D2O