n-Octyl-β-D-glucopyranoside(29836-26-8) Raman

Product Namen-Octyl-β-D-glucopyranoside

CAS 29836-26-8

Molecular FormulaC14H28O6

Molecular Weight292.37

InChIInChI=1/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/s3

InChIKey HEGSGKPQLMEBJL-JOAVLQHANA-N

SmilesO([C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)CCCCCCCC |&1:1,2,3,5,7,r|

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¹HNMR

IR1

Raman

n-Octyl-β-D-glucopyranoside(29836-26-8) Raman
Mass

MS-NW-9508          
octyl beta-D-glucopyranoside
C14H28O6            (Mass of molecular ion:    292)

   Source Temperature: 190 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       1.0
      17.0       3.2
      18.0      16.6
      19.0       2.7
      27.0       4.8
      28.0       5.8
      29.0      13.0
      31.0       6.0
      39.0       3.3
      41.0      26.7
      42.0      10.9
      43.0      44.1
      44.0       5.2
      45.0       7.6
      47.0       1.9
      53.0       1.6
      54.0       1.5
      55.0      19.6
      56.0      19.0
      57.0      98.9
      58.0       4.7
      59.0       1.1
      60.0     100.0
      61.0      10.4
      62.0       1.0
      67.0       1.7
      68.0       2.7
      69.0      18.9
      70.0      16.4
      71.0      85.8
      72.0       5.8
      73.0      86.2
      74.0      52.3
      75.0       3.7
      81.0       1.7
      82.0       2.0
      83.0       5.5
      84.0       5.3
      85.0      10.9
      86.0       4.6
      87.0       9.1
      88.0       1.5
      89.0       3.4
      91.0       6.4
      97.0      12.1
      98.0      19.9
      99.0       5.3
     101.0       3.1
     102.0       2.0
     103.0       1.7
     111.0       1.0
     112.0       3.5
     113.0      30.3
     114.0       2.8
     115.0       1.4
     116.0      10.8
     127.0       3.2
     131.0       5.6
     141.0       1.8
     144.0      13.7
     145.0       6.2
     159.0      13.5
     160.0       1.4
     163.0       6.1
     172.0       1.9
     201.0       1.6
     214.0       1.7
     243.0       2.2
     261.0       1.4
     293.0       1.0