62475-58-5

D-Glucoheptose(62475-58-5) IR1

Product NameD-Glucoheptose

CAS 62475-58-5

Molecular FormulaC7H14O7

Molecular Weight210.18

InChIInChI=1/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h1,3-7,9-14H,2H2/t3-,4+,5-,6+,7+/s3

InChIKey YPZMPEPLWKRVLD-CNSLZLHKNA-N

Smiles[C@@H](O)([C@@H](O)[C@@H](O)C=O)[C@H](O)[C@H](O)CO |&1:0,2,4,8,10,r|

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IR1

IR2

D-Glucoheptose(62475-58-5) IR1
Mass

MS-NW-6963          
D-glucoheptose
C7H14O7             (Mass of molecular ion:    210)

   Source Temperature: 210 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      14.0       1.7
      15.0      10.7
      17.0       2.1
      18.0       9.5
      19.0      11.4
      26.0       1.7
      27.0       7.7
      28.0       5.0
      29.0      20.4
      30.0       3.7
      31.0      31.1
      32.0       3.2
      39.0       3.4
      41.0       6.5
      42.0      11.9
      43.0      31.1
      44.0      10.9
      45.0      13.1
      47.0       3.2
      53.0       1.1
      54.0       1.5
      55.0       7.0
      56.0      15.0
      57.0      15.1
      58.0       2.1
      59.0       1.8
      60.0      38.0
      61.0      31.7
      62.0       1.4
      68.0       1.2
      69.0       7.6
      70.0       1.3
      71.0      26.3
      72.0       8.5
      73.0     100.0
      74.0      18.9
      75.0       1.4
      77.0       1.0
      83.0       1.3
      84.0       1.0
      85.0       7.7
      86.0       3.8
      87.0       2.0
      89.0       2.7
      90.0       2.6
      91.0       4.2
      97.0       3.1
      98.0       1.2
      99.0       1.7
     101.0       4.5
     102.0       4.6
     103.0       6.1
     115.0       3.6
     119.0       1.0
     125.0       1.1
     130.0       1.4
     131.0       6.3
     132.0       1.1
     133.0       4.6
     143.0       3.9
     149.0       1.0
     161.0       1.5
     163.0       1.6

KBr disc