90-80-2

葡萄糖酸内酯(90-80-2)红外图谱(IR1)

产品名称:葡萄糖酸内酯

CAS:90-80-2

分子式:C6H10O6

分子量: 178.14

InChI:InChI=1/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/s3

InChIKey: PHOQVHQSTUBQQK-NTFFWLJGNA-N

Smiles:C([C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O)O |&1:1,5,7,9,r|

¹HNMR

IR1

Raman

Mass

MS-NW-1670          
D-glucono-1,5-lactone
C6H10O6             (Mass of molecular ion:    178)

   Source Temperature: 230 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      14.0       2.7
      15.0      21.0
      17.0       1.6
      18.0       8.0
      19.0      24.1
      26.0       3.5
      27.0      16.0
      28.0       7.2
      29.0      34.8
      30.0      10.3
      31.0      43.9
      32.0       1.7
      38.0       1.1
      39.0       7.0
      40.0       1.6
      41.0       9.4
      42.0      18.8
      43.0      58.4
      44.0      32.8
      45.0      22.4
      47.0       3.0
      53.0       1.0
      54.0       5.0
      55.0      14.3
      56.0      10.2
      57.0      24.8
      58.0      13.6
      59.0       4.1
      60.0      51.8
      61.0     100.0
      62.0       3.1
      68.0       1.3
      69.0       7.3
      70.0       5.0
      71.0      36.2
      72.0      23.3
      73.0      95.4
      74.0       9.5
      75.0       1.4
      76.0      18.7
      83.0       4.3
      84.0       2.5
      85.0      29.5
      86.0       6.0
      87.0       2.1
      89.0       5.7
      90.0       2.0
      91.0       5.8
      97.0       2.7
      98.0       1.5
     100.0      12.6
     101.0       5.0
     102.0       1.0
     103.0      21.6
     104.0       1.1
     112.0       1.3
     114.0       3.5
     118.0       6.0
     119.0       5.6
     142.0       3.2
     147.0       5.8
     160.0      12.3
     161.0       1.2